Publikationer

  • Aydin, Murat; Onur, Mustafa; Sisman, Altug

    A new method for analysis of constant-temperature thermal response tests

    Ingår i Geothermics, s. 1-8, 2019.

  • Wani, Ishtiaq H; Jafri, S Hassan M; Warna, John; Hayat, Aqib et al.

    A sub 20 nm metal-conjugated molecule junction acting as a nitrogen dioxide sensor.

    Ingår i Nanoscale, 2019.

  • Levamaki, H.; Tian, L-Y; Vitos, Levente; Ropo, M. et al.

    An automated algorithm for reliable equation of state fitting of magnetic systems

    Ingår i Computational materials science, s. 121-128, 2019.

  • Albaalbaky, Ahmed; Kvashnin, Yaroslav; Patte, Renaud; Ledue, Denis et al.

    Analytical and numerical investigations of noncollinear magnetic ordering in the frustrated delafossite CuCrO2

    Ingår i Physical Review B, 2019.

  • Brumboiu, Iulia Emilia; Eriksson, Olle; Norman, Patrick

    Atomic photoionization cross sections beyond the electric dipole approximation

    Ingår i Journal of Chemical Physics, 2019.

  • Chafai, A.; Essaoudi, I.; Ainane, Abdelmajid; Dujardin, F. et al.

    Binding energy of an exciton in a GaN/AlN nanodot: Role of size and external electric field

    Ingår i Physica. B, Condensed matter, s. 23-28, 2019.

  • Jana, Somnath; Panda, S. K.; Phuyal, Dibya; Pal, B. et al.

    Charge disproportionate antiferromagnetism at the verge of the insulator-metal transition in doped LaFeO3

    Ingår i Physical Review B, 2019.

  • Klaa, Kaltoum; Labidi, Salima; Banerjee, Amitava; Chakraborty, Sudip et al.

    Composition dependent tuning of electronic and magnetic properties in transition metal substituted Rock-salt MgO

    Ingår i Journal of Magnetism and Magnetic Materials, s. 44-53, 2019.

  • 80101, Ångströmlaboratoriet, Lägerhyddsvägen 1, Uppsala 2019-03-01 kl 13:00

    Shukla, Vivekanand

    Computational Studies of 2D Materials: Application to Energy Storage and Electron Transport in Nanoscale Devices

    Open access
  • Negi, Devendra Singh; Datta, Ranjan; Rusz, Jan

    Defect driven spin state transition and the existence of half-metallicity in CoO

    Ingår i Journal of Physics, 2019.

  • Watcharatharapong, Teeraphat; T-Thienprasert, Jiraroj; Chakraborty, Sudip; Ahuja, Rajeev et al.

    Defect formations and pH-dependent kinetics in krohnkite Na2Fe (SO4)2·2H2O based cathode for sodium-ion batteries: Resembling synthesis conditions through chemical potential landscape

    Ingår i Nano Energy, s. 123-134, 2019.

  • Aydin, Alhun; Oikonomou, Thomas; Bagci, Gokhan Baris; Sisman, Altug et al.

    Discrete and Weyl density of states for photonic dispersion relation

    Ingår i Physica Scripta, 2019.

  • Benhouria, Y.; Essaoudi, I.; Ainane, Abdelmajid; Ahuja, Rajeev et al.

    Dynamic magneto-caloric effect of a C70 fullerene: Dynamic Monte Carlo

    Ingår i Physica. E, Low-Dimensional systems and nanostructures, s. 191-196, 2019.

  • Benhouria, Y.; Khossossi, N.; Houmad, M.; Essaoudi, I. et al.

    Dynamic magneto-caloric effect of a multilayer nanographene: Dynamic quantum Monte Carlo

    Ingår i Physica. E, Low-Dimensional systems and nanostructures, s. 139-145, 2019.

  • Polhemsalen, Ångströmslaboratoriet, Lägerhyddsvägen 1, Uppsala 2019-02-01 kl 09:15

    Hammar, Henning

    Dynamics of Magnetic Molecules under Electrical Control

    Open access
  • Gultekin, Ahmet; Aydin, Murat; Sisman, Altug

    Effects of arrangement geometry and number of boreholes on thermal interaction coefficient of multi-borehole heat exchangers

    Ingår i Applied Energy, s. 163-170, 2019.

  • Al-Zoubi, Noura; Schonecker, Stephan; Li, Xiaoqing; Li, Wei et al.

    Elastic properties of 4d transition metal alloys: Values and trends

    Ingår i Computational materials science, s. 273-280, 2019.

  • Ramberg, Nicklas; Sjöqvist, Erik

    Environment-assisted holonomic quantum maps

    Ingår i Physical Review Letters, 2019.

    Open access
  • Huttmann, Felix; Rothenbach, Nico; Kraus, Stefan; Ollefs, Katharina et al.

    Europium Cyclooctatetraene Nanowire Carpets: A Low-Dimensional, Organometallic, and Ferromagnetic Insulator

    Ingår i Journal of Physical Chemistry Letters, s. 911-917, 2019.

  • Edin, Emil; Luo, Wei; Ahuja, Rajeev; Kaplan, Bartek et al.

    First principles study of C diffusion in WC/W interfaces observed in WC/Co tools after Ti-alloy machining

    Ingår i Computational materials science, s. 236-243, 2019.

  • Li, Xiaojie; Schonecker, Stephan; Li, Xiaoqing; Hao, Shengzhi et al.

    First-principles study of crystal-face specificity in surface properties of Fe-rich Fe-Cr alloys

    Ingår i PHYSICAL REVIEW MATERIALS, 2019.

  • Ren, Guo-dong; Dai, Cheng-ren; Mei, Wei; Sun, Jian et al.

    Formation and temporal evolution of modulated structure in high Nb-containing lamellar gamma-TiAl alloy

    Ingår i Acta Materialia, s. 215-227, 2019.

  • Teixeira, Raphael L. R. C.; Kuzmanovski, Dushko; Black-Schaffer, Annica M.; da Silva, Luis G. G. V. Dias et al.

    Gap oscillations and Majorana bound states in magnetic chains on superconducting honeycomb lattices

    Ingår i Physical Review B, 2019.

  • Hellsvik, Johan; Thonig, Danny; Modin, Klas; Iusan, Diana et al.

    General method for atomistic spin-lattice dynamics with first-principles accuracy

    Ingår i Physical Review B, 2019.

  • Xie, Ruiwen; Li, Wei; Lu, Song; Song, Yan et al.

    Generalized stacking fault energy of carbon-alloyed paramagnetic gamma-Fe

    Ingår i Journal of Physics, 2019.

    Open access
  • Bovornratanaraks, Thiti; Tsuppayakorn-aek, Prutthipong; Luo, Wei; Ahuja, Rajeev et al.

    Ground-state structure of semiconducting and superconducting phases in xenon carbides at high pressure

    Ingår i Scientific Reports, 2019.

    Open access
  • Bouziani, I; Benhouria, Y.; Essaoudi, I; Ainane, A. et al.

    Half metallic ferromagnetic behavior in (Ga, Cr)N and (Ga, Cr, V)N compounds for spintronic technologies: Ab initio and Monte Carlo methods

    Ingår i Journal of Magnetism and Magnetic Materials, s. 220-225, 2019.

  • Mashkoori, Mahdi; Moghaddam, A. G.; Hajibabaee, M. H.; Black-Schaffer, Annica M. et al.

    Impact of topology on the impurity effects in extended s-wave superconductors with spin-orbit coupling

    Ingår i Physical Review B, 2019.

  • Žguns, Pjotrs A.; Ruban, Andrei V.; Skorodumova, Natalia V.

    Influence of composition and oxygen-vacancy ordering on lattice parameter and elastic moduli of Ce1-xGdxO2-x/2: A theoretical study

    Ingår i Scripta Materialia, s. 126-130, 2019.

  • Zeiger, Paul Michel

    Influence of non-dipole trnasitions on the extraction of EMCD

    2019.

    Open access
  • Ebadi, Mahsa; Nasser, Antoine; Carboni, Marco; Younesi, Reza et al.

    Insights into the Li-Metal/Organic Carbonate Interfacial Chemistry by Combined First-Principles Theory and X-ray Photoelectron Spectroscopy

    Ingår i The Journal of Physical Chemistry C, s. 347-355, 2019.

  • Schönhöbel, A. M.; Madugundo, R.; Vekilova, Olga Yu.; Eriksson, Olle et al.

    Intrinsic magnetic properties of SmFe12-xVx alloys with reduced V-concentration

    Ingår i Journal of Alloys and Compounds, s. 969-974, 2019.

  • Alekhin, A.; Razdolski, I.; Berritta, Marco; Buerstel, D. et al.

    Magneto-optical properties of Au upon the injection of hot spin-polarized electrons across Fe/Au(001) interfaces

    Ingår i Journal of Physics, 2019.

  • Persson, Jacob

    Magnon-Phonon Coupling

    2019.

    Open access
  • Mashkoori, Mahdi; Black-Schaffer, Annica M.

    Majorana bound states in magnetic impurity chains: Effects of d-wave pairing

    Ingår i Physical Review B, 2019.

  • 80101, Ångströmlaboratoriet, Lägerhyddsvägen 1, Uppsala 2019-02-15 kl 09:15

    Banerjee, Amitava

    Materials Modelling for Energy Harvesting: From Conversion to Application through Storage

    Open access
  • Kontos, Sofia; Fang, Hailiang; Li, Jiheng; Delczeg-Czirjak, Erna Krisztina et al.

    Measured and calculated properties of B-doped τ-phase MnAl: A rare earth free permanent magnet

    Ingår i Journal of Magnetism and Magnetic Materials, s. 591 591-598 598, 2019.

  • Shukla, Vivekanand; Jena, Naresh K.; Naqvi, S. Rabab; Luo, Wei et al.

    Modeling High-performing Batteries with Mxenes: The case of S-functionalized two- Dimensional Nitride Mxene Electrode

    Ingår i Nano Energy, s. 877-885, 2019.

  • Pudleiner, P.; Thunström, Patrik; Valli, A.; Kauch, A. et al.

    Parquet approximation for molecules: Spectrum and optical conductivity of the Pariser-Parr-Pople model

    Ingår i Physical Review B, 2019.

  • Marchiori, Cleber F.N.; Brandell, Daniel; Araujo, Carlos Moyses

    Predicting Structure and Electrochemistry of Dilithium Thiophene-2,5-Dicarboxylate Electrodes by Density Functional Theory and Evolutionary Algorithms

    Ingår i The Journal of Physical Chemistry C, s. 4691-4700, 2019.

  • Negi, Devendra Singh; Spiegelberg, Jakob; Muto, Shunsuke; Thersleff, Thomas et al.

    Proposal for Measuring Magnetism with Patterned Apertures in a Transmission Electron Microscope

    Ingår i Physical Review Letters, 2019.

  • Aydin, Alhun; Sisman, Altug

    Quantum shape effects and novel thermodynamic behaviors at nanoscale

    Ingår i Physics Letters A, s. 655-665, 2019.

  • Chafai, A.; Essaoudi, I.; Ainane, A.; Dujardin, F. et al.

    Role of a uniform magnetic field on the energy spectrum of a single donor in a core/shell spherical quantum dot

    Ingår i Zhongguó wùli xuékan, s. 189-194, 2019.

  • Shirinyan, Albert A.; Kozin, Valerii K.; Hellsvik, Johan; Pereiro, Manuel et al.

    Self-organizing maps as a method for detecting phase transitions and phase identification

    Ingår i Physical Review B, 2019.

  • von Malottki, Stephan; Bessarab, Pavel F.; Haldar, Soumyajyoti; Delin, Anna et al.

    Skyrmion lifetime in ultrathin films

    Ingår i Physical Review B, 2019.

  • Diklic, Natasa P.; Dobrota, Ana S.; Pasti, Igor A.; Mentus, Slavko, V et al.

    Sodium storage via single epoxy group on graphene: The role of surface doping

    Ingår i Electrochimica Acta, s. 523-528, 2019.

  • Hammar, Henning; Jaramillo, Juan David Vasquez; Fransson, Jonas

    Spin-dependent heat signatures of single-molecule spin dynamics

    Ingår i Physical Review B, 2019.

  • Kartsev, Alexey; Feya, Oleg D.; Bondarenko, Nina; Kvashnin, Alexander G. et al.

    Stability and magnetism of FeN high-pressure phases

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 5262-5273, 2019.

  • Khatibi, Zahra; Namiranian, Afshin; Parhizgar, Fariborz

    Strain impacts on commensurate bilayer graphene superlattices: Distorted trigonal warping, emergence of bandgap and direct-indirect bandgap transition

    Ingår i Diamond and related materials, s. 228-234, 2019.

  • Alwan, Seif

    The Effect of Fano Resonance on ExchangeInteraction in a DQD Junction with RashbaSpin-Orbit Coupling

    2019.

    Open access
  • Behloul, M.; Benhouria, Y.; Ez-Zahraouy, H.; Essaoudi, I. et al.

    Theoretical investigation of the electronic and magnetic properties of Zn (Fe, Co) Se: Ab initio calculations and Monte Carlo simulations

    Ingår i Superlattices and Microstructures, s. 66-70, 2019.

  • Zhao, Wenyue; Li, Wei; Li, Xiaoqing; Gong, Shengkai et al.

    Thermo-mechanical properties of Ni-Mo solid solutions: A first-principles study

    Ingår i Computational materials science, s. 140-148, 2019.

  • Das, Tisita; Chakraborty, Sudip; Ahuja, Rajeev; Das, Gour P. et al.

    TiS2 Monolayer as an Emerging Ultrathin Bifunctional Catalyst: Influence of Defects and Functionalization

    Ingår i ChemPhysChem, s. 608-617, 2019.

  • Herper, Heike C.; Grünebohm, Anna

    Tuning the Magnetic Anisotropy of NiPtMnGa by Substitution and Epitaxial Strain

    Ingår i IEEE transactions on magnetics, 2019.

  • Vekilova, Olga Yu.; Fayyazi, Bahar; Skokov, Konstantin P.; Gutfleisch, Oliver et al.

    Tuning the magnetocrystalline anisotropy of Fe3Sn by alloying

    Ingår i Physical Review B, 2019.

  • Kumavat, Sandip R.; Sonvane, Yogesh; Singh, Deobrat; Gupta, Sanjeev K. et al.

    Two-Dimensional CH3NH3PbI3 with High Efficiency and Superior Carrier Mobility: A Theoretical Study

    Ingår i The Journal of Physical Chemistry C, s. 5231-5239, 2019.

  • Shi, Xun; You, Wenjing; Zhang, Yingchao; Tao, Zhensheng et al.

    Ultrafast electron calorimetry uncovers a new long-lived metastable state in 1T-TaSe2 mediated by mode-selective electron-phonon coupling

    Ingår i Science Advances, 2019.

    Open access
  • Khoshlahni, Rohollah; Qaiumzadeh, Alireza; Bergman, Anders; Brataas, Arne et al.

    Ultrafast generation and dynamics of isolated skyrmions in antiferromagnetic insulators

    Ingår i Physical Review B, 2019.

  • Cheng, Kai; Guo, Yu; Han, Nannan; Jiang, Xue et al.

    2D lateral heterostructures of group-III monochalcogenide: Potential photovoltaic applications

    Ingår i Applied Physics Letters, 2018.

  • Sahoo, Laxminarayan; Kundu, Soumya; Singhamahapatra, Anadi; Jena, Naresh K. et al.

    5-Benzoyl triazole as new structural dimension in glycoconjugates

    Ingår i Carbohydrate Research, s. 23-30, 2018.

  • Minakshi, M.; Watcharatharapong, Teeraphat; Chakraborty, Sudip; Ahuja, Rajeev et al.

    A combined theoretical and experimental approach of a new ternary metal oxide in molybdate composite for hybrid energy storage capacitors

    Ingår i APL MATERIALS, 2018.

    Open access
  • Koumpouras, Konstantinos; Yudin, Dmitry; Adelmann, Christoph; Bergman, Anders et al.

    A majority gate with chiral magnetic solitons

    Ingår i Journal of Physics, 2018.

  • Gavrilov, Nemanja; Momcilovic, Milan; Dobrota, Ana S.; Stankovic, Dalibor M. et al.

    A study of ordered mesoporous carbon doped with Co and Ni as a catalyst of oxygen reduction reaction in both alkaline and acidic media

    Ingår i Surface & Coatings Technology, s. 511-521, 2018.

  • Lu, Song; Ågren, John; Vitos, Levente

    Ab initio study of energetics and structures of heterophase interfaces: From coherent to semicoherent interfaces

    Ingår i Acta Materialia, s. 20-30, 2018.

  • Long, Debing; Li, Mingkai; Meng, Dongxue; He, Yunbin et al.

    Accounting for the thermo-stability of PdHx (x=1-3) by density functional theory

    Ingår i International journal of hydrogen energy, s. 18372-18381, 2018.

  • Singh, Deobrat; Gupta, Sanjeev K.; Sonvane, Yogesh; Hussain, Tanveer et al.

    Achieving ultrahigh carrier mobilities and opening the band gap in two-dimensional Si2BN

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 21716-21723, 2018.

  • Feliciano, Gustavo T.; Sanz-Navarro, Carlos; Coutinho-Neto, Mauricio Domingues; Ordejon, Pablo et al.

    Addressing the Environment Electrostatic Effect on Ballistic Electron Transport in Large Systems: A QM/MM-NEGF Approach

    Ingår i Journal of Physical Chemistry B, s. 485-492, 2018.

  • Nowakowska, Sylwia; Mazzola, Federico; Alberti, Mariza N.; Song, Fei et al.

    Adsorbate-Induced Modification of the Confining Barriers in a Quantum Box Array

    Ingår i ACS Nano, s. 768-778, 2018.

  • Hussain, Tanveer; Vovusha, Hakkim; Kaewmaraya, Thanayut; Amornkitbamrung, Vittaya et al.

    Adsorption characteristics of DNA nucleobases, aromatic amino acids and heterocyclic molecules on silicene and germanene monolayers

    Ingår i Sensors and actuators. B, Chemical, s. 2713-2720, 2018.

  • Bekaert, J.; Aperis, Alex; Partoens, B.; Oppeneer, Peter M. et al.

    Advanced first-principles theory of superconductivity including both lattice vibrations and spin fluctuations: The case of FeB4

    Ingår i Physical Review B, 2018.

  • Lizarraga, Raquel; Holmstrom, Erik; Vitos, Levente

    Alloying effect of tungsten on the structural and magnetic properties of CoCrFeNiW high entropy alloys

    Ingår i PHYSICAL REVIEW MATERIALS, 2018.

  • Das, Suman; Swain, Diptikanta; Araujo, Rafael Barros Neves de; Shi, Songxin et al.

    Alloying in an Intercalation Host: Metal Titanium Niobates as Anodes for Rechargeable Alkali-Ion Batteries

    Ingår i Chemistry - An Asian Journal, s. 299-310, 2018.

  • Thunström, Patrik; Gunnarsson, O.; Ciuchi, Sergio; Rohringer, G. et al.

    Analytical investigation of singularities in two-particle irreducible vertex functions of the Hubbard atom

    Ingår i Physical Review B, 2018.

  • Cayao, Jorge; Black-Schaffer, Annica M.; Prada, Elsa; Aguado, Ramon et al.

    Andreev spectrum and supercurrents in nanowire-based SNS junctions containing Majorana bound states

    Ingår i Beilstein Journal of Nanotechnology, s. 1339-1357, 2018.

    Open access
  • Pervishko, Anastasiia A.; Baglai, Mikhail I.; Eriksson, Olle; Yudin, Dmitry et al.

    Another view on Gilbert damping in two-dimensional ferromagnets

    Ingår i Scientific Reports, 2018.

    Open access
  • Yang, Zhi-biao; Sun, Jian; Lu, Song; Vitos, Levente et al.

    Assessing elastic property and solid-solution strengthening of binary Ni-Co, Ni-Cr, and ternary Ni-Co-Cr alloys from first-principles theory

    Ingår i Journal of Materials Research, s. 2763-2774, 2018.

  • Pasti, Igor A.; Jovanovic, Aleksandar; Dobrota, Ana S.; Mentus, Slavko V. et al.

    Atomic adsorption on graphene with a single vacancy: systematic DFT study through the periodic table of elements

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 858-865, 2018.

  • Pasti, Igor A.; Jovanovic, Aleksandar; Dobrota, Ana S.; Mentus, Slavko V. et al.

    Atomic adsorption on pristine graphene along the Periodic Table of Elements - From PBE to non-local functionals

    Ingår i Applied Surface Science, s. 433-440, 2018.

  • Wang, Zechao; Tavabi, Amir H.; Jin, Lei; Rusz, Jan et al.

    Atomic scale imaging of magnetic circular dichroism by achromatic electron microscopy

    Ingår i Nature Materials, s. 221-225, 2018.

  • Reid, A. H.; Shen, X.; Maldonado, Pablo; Chase, T. et al.

    Beyond a phenomenological description of magnetostriction

    Ingår i Nature Communications, 2018.

    Open access
  • Vovusha, Hakkim; Banerjee, Debapriya; Yadav, Manoj Kumar; Perrozzi, Francesco et al.

    Binding Characteristics of Anticancer Drug Doxorubicin with Two-Dimensional Graphene and Graphene Oxide: Insights from Density Functional Theory Calculations and Fluorescence Spectroscopy

    Ingår i The Journal of Physical Chemistry C, s. 21031-21038, 2018.

  • Spiegelberg, Jakob; Song, Dongsheng; Dunin-Borkowski, Rafal; Zhu, Jing et al.

    Blind identification of magnetic signals in electron magnetic chiral dichroism using independent component analysis

    Ingår i Ultramicroscopy, s. 129-135, 2018.

  • Shukla, Vivekanand; Araujo, Rafael Barros Neves de; Jena, Naresh K.; Ahuja, Rajeev et al.

    Borophene's tryst with stability: exploring 2D hydrogen boride as an electrode for rechargeable batteries

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 22008-22016, 2018.

  • Muscas, Giuseppe; Brucas, Rimantas; Jönsson, Petra E.

    Bringing nanomagnetism to the mesoscale with artificial amorphous structures

    Ingår i Physical Review B, 2018.

  • Smazna, Daria; Rodrigues, Joana; Shree, Sindu; Postica, Vasile et al.

    Buckminsterfullerene hybridized zinc oxide tetrapods: defects and charge transfer induced optical and electrical response

    Ingår i Nanoscale, s. 10050-10062, 2018.

  • Firat, Coskun; Sisman, Altug; Aydin, Alhun

    Characterization of density oscillations in confined and degenerate Fermi gases

    Ingår i Modern physics letters B, 2018.

  • Kou, R. H.; Gao, J.; Ren, Y.; Sanyal, Biplab et al.

    Charge transfer-tuned magnetism in Nd-substituted Gd5Si4

    Ingår i AIP Advances, 2018.

    Open access
  • Li, Jibiao; He, Xin; Peng, Cheng; Ahuja, Rajeev et al.

    Chemical Bonding of Unique CO on Fe(100)

    Ingår i The Journal of Physical Chemistry C, s. 9062-9074, 2018.

  • Shalaby, Mostafa; Donges, Andreas; Carva, Karel; Allenspach, Rolf et al.

    Coherent and incoherent ultrafast magnetization dynamics in 3d ferromagnets driven by extreme terahertz fields

    Ingår i Physical Review B, 2018.

  • Haldar, Soumyajyoti; Bhandary, Sumanta; Vovusha, Hakkim; Sanyal, Biplab et al.

    Comparative study of electronic and magnetic properties of iron and cobalt phthalocyanine molecules physisorbed on two-dimensional MoS2 and graphene

    Ingår i Physical Review B, 2018.

  • Häggsalen, Ångström Laboratory, Lägerhyddsvägen 1, 2018-10-30 kl 13:12

    Žguns, Pjotrs A.

    Configurational Thermodynamics of the CeO2-Gd2O3 System: A Combined DFT, Cluster Expansion and Monte Carlo Approach to Bulk and Interfaces

    Open access
  • Vovusha, Hakkim; Amorim, Rodrigo G.; Scheicher, Ralph H.; Sanyal, Biplab et al.

    Controlling the orientation of nucleobases by dipole moment interaction with graphene/h-BN interfaces

    Ingår i RSC Advances, s. 6527-6531, 2018.

    Open access
  • Huang, Shuo; Vida, Ádám; Heczel, Anita; Holmström, Erik et al.

    Correction to: Thermal Expansion, Elastic and Magnetic Properties of FeCoNiCu-Based High-Entropy Alloys Using First-Principle Theory

    Ingår i JOM, s. 1037-1037, 2018.

    Open access
  • Östlin, A.; Vitos, Levente; Chioncel, L.

    Correlated electronic structure with uncorrelated disorder

    Ingår i Physical Review B, 2018.

  • Poluektov, Mikhail; Eriksson, Olle; Kreiss, Gunilla

    Coupling atomistic and continuum modelling of magnetism

    Ingår i Computer Methods in Applied Mechanics and Engineering, s. 219-253, 2018.

  • Tengdin, Phoebe; You, Wenjing; Chen, Cong; Shi, Xun et al.

    Critical behavior within 20 fs drives the out-of-equilibrium laser-induced magnetic phase transition in nickel

    Ingår i Science Advances, 2018.

    Open access
  • Huang, He; Li, Xiaoqing; Dong, Zhihua; Li, Wei et al.

    Critical stress for twinning nucleation in CrCoNi-based medium and high entropy alloys

    Ingår i Acta Materialia, s. 388-396, 2018.

  • Chakraborty, Sudip; Banerjee, Amitava; Watcharatharapong, Teeraphat; Araujo, Rafael Barros et al.

    Current computational trends in polyanionic cathode materials for Li and Na batteries

    Ingår i Journal of Physics, 2018.

  • Krishnamurthy, Shrreya; Kour, Prachi; Katre, Ankita; Gosavi, Suresh et al.

    Cystamine-configured lead halide based 2D hybrid molecular crystal: synthesis and photoluminescence systematics

    Ingår i APL MATERIALS, 2018.

    Open access
  • Hussain, Tanveer; Kaewmaraya, Thanayut; Chakraborty, Sudip; Vovusha, Hakkim et al.

    Defected and Functionalized Germanene-based Nanosensors under Sulfur Comprising Gas Exposure

    Ingår i ACS SENSORS, s. 867 867-874 874, 2018.

  • Råsander, Mikael; Hugosson, Håkan W.; Delin, Anna

    Density functional study of carbon vacancies in titanium carbide

    Ingår i Journal of Physics, 2018.

  • Samanta, Sudipta; Raghunathan, Devanathan; Mukherjee, Sanchita; Sanyal, Biplab et al.

    Dependence of homo-lumo gap of DNA base pair steps on twist angle: A density fuctional approach

    Ingår i Journal of biological systems, s. 23-40, 2018.

  • Zusin, Dmitriy; Tengdin, Phoebe M.; Gopalakrishnan, Maithreyi; Gentry, Christian et al.

    Direct measurement of the static and transient magneto-optical permittivity of cobalt across the entire M-edge in reflection geometry by use of polarization scanning

    Ingår i Physical Review B, 2018.

  • Hosen, M. Mofazzel; Dhakal, Gyanendra; Dimitri, Klauss; Maldonado, Pablo et al.

    Discovery of topological nodal-line fermionic phase in a magnetic material GdSbTe

    Ingår i Scientific Reports, 2018.

    Open access
  • Maehrlein, Sebastian F.; Radu, Ilie; Maldonado, Pablo; Paarmann, Alexander et al.

    Dissecting spin-phonon equilibration in ferrimagnetic insulators by ultrafast lattice excitation

    Ingår i Science Advances, 2018.

  • Hosen, M. Mofazzel; Dimitri, Klauss; Nandy, Ashis K.; Aperis, Alex et al.

    Distinct multiple fermionic states in a single topological metal

    Ingår i Nature Communications, 2018.

    Open access
  • Noguere, G.; Maldonado, Pablo; De Saint Jean, C.

    Doppler broadening of neutron-induced resonances using ab initio phonon spectrum

    Ingår i The European Physical Journal Plus, 2018.

  • Kantian, Adrian; Langer, Stephan; Daley, Andrew J.

    Dynamical Disentangling and Cooling of Atoms in Bilayer Optical Lattices

    Ingår i Physical Review Letters, 2018.

  • Hammar, Henning; Fransson, Jonas

    Dynamical exchange and phase induced switching of a localized molecular spin

    Ingår i Physical Review B, 2018.

  • Butorin, Sergei; Kvashnina, K. O.; Klintenberg, Mattias; Kavcic, M. et al.

    Effect of Ag Doping on Electronic Structure of Cluster Compounds AgxMo9Se11 (x = 3.4, 3.9)

    Ingår i ACS APPLIED ENERGY MATERIALS, s. 4032 4032-4039 4039, 2018.

  • Ouyang, Tianhong; Qian, Zhao; Hao, Xiaopeng; Ahuja, Rajeev et al.

    Effect of defects on adsorption characteristics of AlN monolayer towards SO2 and NO2: Ab initio exposure

    Ingår i Applied Surface Science, s. 615-622, 2018.

  • Manotum, R.; Klinkla, R.; Pinsook, U.; Kotmool, K. et al.

    Effect of pressure on the structure stability, electronic structure and band gap engineering in Zn16O1S15

    Ingår i COMPUTATIONAL CONDENSED MATTER, 2018.

  • Albaalbaky, Ahmed; Kvashnin, Yaroslav; Patte, Renaud; Fresard, Raymond et al.

    Effects of Ga doping on magnetic and ferroelectric properties of multiferroic delafossite CuCrO2: Ab initio and Monte Carlo approaches

    Ingår i Physical Review B, 2018.

    Open access
  • Panigrahi, Puspamitra; Dhinakaran, Ashok Kumar; Sekar, Yuvaraj; Ahuja, Rajeev et al.

    Efficient Adsorption Characteristics of Pristine and Silver-Doped Graphene Oxide Towards Contaminants: A Potential Membrane Material for Water Purification?

    Ingår i ChemPhysChem, s. 2250-2257, 2018.

  • Srivastava, Anurag; Khan, Md. Shahzad; Ahuja, Rajeev

    Electron transport in NH3/NO2 sensed buckled antimonene

    Ingår i Solid State Communications, s. 1-7, 2018.

  • Benatto, L.; Marchiori, Cleber; da Luz, M. G. E.; Koehler, M. et al.

    Electronic and structural properties of fluorene-thiophene copolymers as function of the composition ratio between the moieties: a theoretical study

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 20447-20458, 2018.

  • Seminar Room, Universidade Federal do Pará, Av. Augusto Correa 01, Belém, PA, Brazil, Belém 2018-05-29 kl 10:00

    Cardias Alves de Almeida, Ramon

    Electronic structure and exchange interactions from ab initio theory: New perspectives and implementations

    Open access
  • Keshavarz, Samara; Schött, Johan; Millis, Andrew J.; Kvashnin, Yaroslav et al.

    Electronic structure, magnetism, and exchange integrals in transition-metal oxides: Role of the spin polarization of the functional in DFT+U calculations

    Ingår i Physical Review B, 2018.

  • Jaramillo, Juan David Vasquez; Hammar, Henning; Fransson, Jonas

    Electronically Mediated Magnetic Anisotropy in Vibrating Magnetic Molecules

    Ingår i ACS Omega, s. 6546 6546-6553 6553, 2018.

    Open access
  • Nemsak, Slavomir; Gehlmann, Mathias; Kuo, Cheng-Tai; Lin, Shih-Chieh et al.

    Element- and momentum-resolved electronic structure of the dilute magnetic semiconductor manganese doped gallium arsenide

    Ingår i Nature Communications, 2018.

    Open access
  • Gang, Seung-gi; Adam, Roman; Plötzing, Moritz; von Witzleben, Moritz et al.

    Element-selective investigation of femtosecond spin dynamics in NiPd magnetic alloys using extreme ultraviolet radiation

    Ingår i Physical Review B, 2018.

  • Panigrahi, P.; Naqvi, S. Rabab; Hankel, M.; Ahuja, Rajeev et al.

    Enriching the hydrogen storage capacity of carbon nanotube doped with polylithiated molecules

    Ingår i Applied Surface Science, s. 467-473, 2018.

  • Azimi Mousolou, Vahid; Sjöqvist, Erik

    Entangling power of holonomic gates in atom-based systems

    Ingår i Journal of Physics A, 2018.

    Open access
  • Jiang, Guanzhong; Qian, Zhao; Bououdina, Mohamed; Ahuja, Rajeev et al.

    Exploring pristine and Li-doped Mg2NiH4 compounds with potential lithium-storage properties: Ab initio insight

    Ingår i Journal of Alloys and Compounds, s. 140-146, 2018.

  • Behloul, M.; Benhouria, Y.; Essaoudi, I.; Ainane, Abdelmajid et al.

    Ferromagnetism induced by Cr, V single and double impurities doped BN from Ab-initio and Monte Carlo study

    Ingår i COMPUTATIONAL CONDENSED MATTER, 2018.

  • Cayao, Jorge; Black-Schaffer, Annica M.

    Finite length effect on supercurrents between trivial and topological superconductors

    Ingår i The European Physical Journal Special Topics, s. 1387-1396, 2018.

    Open access
  • Klarbring, Johan; Skorodumova, Natalia V.; Simak, Sergei I.

    Finite-temperature lattice dynamics and superionic transition in ceria from first principles

    Ingår i Physical Review B, 2018.

  • Liu, Yuhang

    First Principle Study of Multiferroic Bismuth Ferrite

    2018.

    Open access
  • Westholm, Jacob

    First principles calculations of 2D materials

    2018.

    Open access
  • Belghit, R.; Belkhir, H.; Heciri, D.; Bououdina, M. et al.

    First principles study of structural, mechanical and electronic properties of the ternary alkali metal oxides KNaO and RbNaO

    Ingår i Chemical Physics Letters, s. 684-693, 2018.

  • Liu, Peng-Fei; Bo, Tao; Xu, Juping; Yin, Wen et al.

    First-principles calculations of the ultralow thermal conductivity in two-dimensional group-IV selenides

    Ingår i Physical Review B, 2018.

  • Ouyang, Tianhong; Qian, Zhao; Ahuja, Rajeev; Liu, Xiangfa et al.

    First-principles investigation of CO adsorption on pristine, C-doped and N-vacancy defected hexagonal AlN nanosheets

    Ingår i Applied Surface Science, s. 196-201, 2018.

  • Li, Xiaoqing; Irving, Douglas L.; Vitos, Levente

    First-principles investigation of the micromechanical properties of fcc-hcp polymorphic high-entropy alloys

    Ingår i Scientific Reports, 2018.

    Open access
  • Suzuki, Michi-To; Ikeda, Hiroaki; Oppeneer, Peter M.

    First-principles Theory of Magnetic Multipoles in Condensed Matter Systems

    Ingår i Journal of the Physical Society of Japan, 2018.

  • Balatsky, Alexander V.; Brena, Barbara; Herper, Heike C.; Sanyal, Biplab et al.

    Functional Dirac Materials: Status and Perspectives

    Ingår i Physica Status Solidi. Rapid Research Letters, 2018.

  • Mondal, Ritwik; Berritta, Marco; Oppeneer, Peter M.

    Generalisation of Gilbert damping and magnetic inertia parameter as a series of higher-order relativistic terms

    Ingår i Journal of Physics, 2018.

  • Mertins, H. -Ch.; Jansing, C.; Krivenkov, M.; Varykhalov, A. et al.

    Giant magneto-optical Faraday effect of graphene on Co in the soft x-ray range

    Ingår i Physical Review B, 2018.

  • Levamaki, Henrik; Tian, Liyun; Kokko, Kalevi; Vitos, Levente et al.

    Gradient-level and nonlocal density functional descriptions of Cu-Au intermetallic compounds

    Ingår i European Physical Journal B, 2018.

    Open access
  • Hussain, T.; Vovusha, H.; Kaewmaraya, T.; Karton, A. et al.

    Graphitic carbon nitride nano sheets functionalized with selected transition metal dopants: an efficient way to store CO2

    Ingår i Nanotechnology, 2018.

  • Di Marco, Igor; Held, Andreas; Keshavarz, Samara; Kvashnin, Yaroslav O et al.

    Half-metallicity and magnetism in the Co2MnAl/CoMnVAl heterostructure

    Ingår i Physical Review B, 2018.

  • Yadav, Ravi; Pereiro, Manuel; Bogdanov, Nikolay A.; Nishimoto, Satoshi et al.

    Heavy-mass magnetic modes in pyrochlore iridates due to dominant Dzyaloshinskii-Moriya interaction

    Ingår i PHYSICAL REVIEW MATERIALS, 2018.

  • Liu, Peng-Fei; Bo, Tao; Liu, Zhifeng; Eriksson, Olle et al.

    Hexagonal M2C3 (M = As, Sb, and Bi) monolayers: new functional materials with desirable band gaps and ultrahigh carrier mobility

    Ingår i Journal of Materials Chemistry C, s. 12689-12697, 2018.

  • Bo, Tao; Liu, Peng-Fei; Xu, Juping; Zhang, Junrong et al.

    Hexagonal Ti2B2 monolayer: a promising anode material offering high rate capability for Li-ion and Na-ion batteries

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 22168-22178, 2018.

  • Holmstrom, Erik; Lizarraga, Raquel; Linder, David; Salmasi, Armin et al.

    High entropy alloys: Substituting for cobalt in cutting edge technology

    Ingår i APPLIED MATERIALS TODAY, s. 322 322-329 329, 2018.

  • Avila, Harold C.; Serrano, Pablo; Barreto, Arthur R. J.; Ahmed, Zubair et al.

    High hole-mobility of rrP3HT in organic field-effect transistors using low-polarity polyurethane gate dielectric

    Ingår i Organic electronics, s. 33-37, 2018.

  • Farronato, Mattia; Lüder, Johann; Longo, Danilo; Cruguel, Herve et al.

    High Tolerance of Double-Decker Phthalocyanine toward Molecular Oxygen

    Ingår i The Journal of Physical Chemistry C, s. 20244-20251, 2018.

  • Fan, Xuge; Elgammal, Karim; Smith, Anderson D.; Ostling, Mikael et al.

    Humidity and CO2 gas sensing properties of double-layer graphene

    Ingår i Carbon, s. 576-587, 2018.

  • Chafai, A.; Essaoudi, I; Ainane, Abdelmajid; Dujardin, F. et al.

    Hydrogenic donor in a CdSe/CdS quantum dot: Effect of electric field strength, nanodot shape and dielectric environment on the energy spectrum

    Ingår i Physica. E, Low-Dimensional systems and nanostructures, s. 29-35, 2018.

  • Benhouria, Y.; Essaoudi, I.; Ainane, A.; Ahuja, Rajeev et al.

    Hysteresis loops and dielectric properties of a mixed spin Blume-Capel Ising ferroelectric nanowire

    Ingår i Physica A, s. 499-506, 2018.

  • Banerjee, Amitava; Araujo, Rafael Barros; Sjödin, Martin; Ahuja, Rajeev et al.

    Identifying the tuning key of disproportionation redox reaction in terephthalate: A Li-based anode for sustainable organic batteries

    Ingår i Nano Energy, s. 301-308, 2018.

  • Pandey, Kavita; Singh, Deobrat; Gupta, S. K.; Yadav, Pankaj et al.

    Improving electron transport in the hybrid perovskite solar cells using CaMnO3-based buffer layer

    Ingår i Nano Energy, s. 287-297, 2018.

  • Saraf, Deepashri; Chakraborty, Sudip; Kshirsagar, Anjali; Ahuja, Rajeev et al.

    In pursuit of bifunctional catalytic activity in PdS2 pseudo-monolayer through reaction coordinate mapping

    Ingår i Nano Energy, s. 283-289, 2018.

  • Cedervall, Johan; Nonnet, Elise; Hedlund, Daniel; Häggström, Lennart et al.

    Influence of cobalt substitution on the magnetic properties of Fe5PB2

    Ingår i Inorganic Chemistry, s. 777-784, 2018.

  • Quellmalz, Arne; Smith, Anderson D.; Elgammal, Karim; Fan, Xuge et al.

    Influence of Humidity on Contact Resistance in Graphene Devices

    Ingår i ACS Applied Materials and Interfaces, s. 41738-41746, 2018.

    Open access
  • Usman, Rabia; Khan, Arshad; Wang, Mingliang; Luo, Yi et al.

    Investigation of Charge-Transfer Interaction in Mixed Stack Donor-Acceptor Cocrystals Toward Tunable Solid-State Emission Characteristics

    Ingår i Crystal Growth & Design, s. 6001-6008, 2018.

  • Paul, Souvik; Iusan, Diana; Thunström, Patrik; Kvashnin, Yaroslav et al.

    Investigation of the spectral properties and magnetism of BiFeO3 by dynamical mean-field theory

    Ingår i Physical Review B, 2018.

  • Singh, Shivam; Sharma, Bosky; Banappanavar, Gangadhar; Dey, Amrita et al.

    Investigation on Organic Molecule Additive for Moisture Stability and Defect Passivation via Physisorption in CH3NH3PbI3 Based Perovskite

    Ingår i ACS APPLIED ENERGY MATERIALS, s. 1870 1870-1877 1877, 2018.

  • Landa, Alexander; Söderlind, Per; Naumov, Ivan I.; Klepeis, John E. et al.

    Kohn Anomaly and Phase Stability in Group VB Transition Metals

    Ingår i Computation, 2018.

  • Levamaki, Henrik; Nagy, Agnes; Vilja, Iiro; Kokko, Kalevi et al.

    Kullback-Leibler and relative Fisher information as descriptors of locality

    Ingår i International Journal of Quantum Chemistry, 2018.

  • Tamm, A.; Caro, M.; Caro, A.; Samolyuk, G. et al.

    Langevin Dynamics with Spatial Correlations as a Model for Electron-Phonon Coupling

    Ingår i Physical Review Letters, 2018.

  • Schonecker, Stephan; Li, Xiaoqing; Richter, Manuel; Vitos, Levente et al.

    Lattice dynamics and metastability of fcc metals in the hcp structure and the crucial role of spin-orbit coupling in platinum

    Ingår i Physical Review B, 2018.

  • Fako, Edvin; Dobrota, Ana S.; Pasti, Igor A.; Lopez, Nuria et al.

    Lattice mismatch as the descriptor of segregation, stability and reactivity of supported thin catalyst films

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 1524-1530, 2018.

  • Bessarab, Pavel F.; Müller, Gideon P.; Lobanov, Igor S.; Rybakov, Filipp N. et al.

    Lifetime of racetrack skyrmions

    Ingår i Scientific Reports, 2018.

    Open access
  • Panigrahi, P.; Dhinakaran, A. K.; Naqvi, S. Rabab; Gollu, S. R. et al.

    Light metal decorated graphdiyne nanosheets for reversible hydrogen storage

    Ingår i Nanotechnology, 2018.

  • Spiegelberg, Jakob; Idrobo, Juan Carlos; Herklotz, Andreas; Ward, Thomas Zac et al.

    Local low rank denoising for enhanced atomic resolution imaging

    Ingår i Ultramicroscopy, s. 34-42, 2018.

  • La Torre, Enrico; Smekhova, Alevtina; Schmitz-Antoniak, Carolin; Ollefs, Katharina et al.

    Local probe of irradiation-induced structural changes and orbital magnetism in Fe60Al40 thin films via an order-disorder phase transition

    Ingår i Physical Review B, 2018.

  • Zhang, Teng; Brumboiu, Iulia E.; Grazioli, Cesare; Guarnaccio, Ambra et al.

    Lone-Pair Delocalization Effects within Electron Donor Molecules: The Case of Triphenylamine and Its Thiophene-Analog

    Ingår i The Journal of Physical Chemistry C, s. 17706-17717, 2018.

  • Rodrigues, Debora C. M.; B Klautau, Angela; Edström, Alexander; Rusz, Jan et al.

    Magnetic anisotropy in permalloy: hidden quantum mechanical features

    Ingår i Physical Review B, 2018.

  • Shaw, Justin M.; Delczeg-Czirjak, Erna K.; Edwards, Eric R. J.; Kvashnin, Yaroslav et al.

    Magnetic damping in sputter-deposited Co2MnGe Heusler compounds with A2, B2, and L2(1) orders: Experiment and theory

    Ingår i Physical Review B, 2018.

  • Hurst, Jerome; Oppeneer, Peter M.; Manfredi, Giovanni; Hervieux, Paul-Antoine et al.

    Magnetic moment generation in small gold nanoparticles via the plasmonic inverse Faraday effect

    Ingår i Physical Review B, 2018.

  • Keshavarz, Samara; Kontos, Sofia; Wardecki, Dariusz; Kvashnin, Yaroslav et al.

    Magnetic properties of Ruddlesden-Popper phases Sr3-&: A combined experimental and theoretical investigation

    Ingår i Physical Review Materials, 2018.

  • Polhemsalen, 10134, Ångströmlaboratoriet, Lägerhyddsvägen 1, Uppsala 2018-10-26 kl 09:15

    Keshavarz Hedayati, Samara

    Magnetism in Transition Metal Systems: Interplay between structure, dimensionality and electron correlation

    Open access
  • Werwinski, Miroslaw; Edstroem, Alexander; Rusz, Jan; Hedlund, Daniel et al.

    Magnetocrystalline anisotropy of Fe5PB2 and its alloys with Co and 5d elements: A combined first-principles and experimental study

    Ingår i Physical Review B, 2018.

  • Bouziani, I.; Benhouria, Y.; Essaoudi, I.; Ainane, Abdelmajid et al.

    Magnetoelectronic properties of GaN codoped with (V, Mn) impurities for spintronic devices: Ab-initio and Monte Carlo studies

    Ingår i Physica A, s. 1249-1259, 2018.

  • Bouziani, I.; Benhouria, Y.; Essaoudi, I.; Ainane, Abdelmajid et al.

    Magnetoelectronic properties of Vanadium impurities co-doped (Cd, Cr)Te compound for spintronic devices: First principles calculations and Monte Carlo simulation

    Ingår i Journal of Magnetism and Magnetic Materials, s. 420-429, 2018.

  • Majee, Rahul; Chakraborty, Sudip; Salunke, Hemant G.; Bhattacharyya, Sayan et al.

    Maneuvering the Physical Properties and Spin States To Enhance the Activity of La-Sr-Co-Fe-O Perovskite Oxide Nanoparticles in Electrochemical Water Oxidation

    Ingår i ACS APPLIED ENERGY MATERIALS, s. 3342 3342-3350 3350, 2018.

  • Ji, Zong-Wei; Lu, Song; Hu, Qing-miao; Kim, Dongyoo et al.

    Mapping deformation mechanisms in lamellar titanium aluminide

    Ingår i Acta Materialia, s. 835-843, 2018.

  • Huang, Shuo; Holmstrom, Erik; Eriksson, Olle; Vitos, Levente et al.

    Mapping the magnetic transition temperatures for medium- and high-entropy alloys

    Ingår i Intermetallics (Barking), s. 80-84, 2018.

  • Shi, Songxin; Zhu, Linggang; Zhang, Hu; Sun, Zhimei et al.

    Mapping the relationship among composition, stacking fault energy and ductility in Nb alloys: A first-principles study

    Ingår i Acta Materialia, s. 853-861, 2018.

  • Huang, Shuo; Li, Xiaoqing; Huang, He; Holmstrom, Erik et al.

    Mechanical performance of FeCrCoMnAlx high-entropy alloys from first-principle

    Ingår i Materials Chemistry and Physics, s. 37-42, 2018.

  • Yang, Xiao; Li, Huijian; Hu, Minzheng; Liu, Zeliang et al.

    Mechanical properties investigation on single-wall ZrO2 nanotubes: A finite element method with equivalent Poisson's ratio for chemical bonds

    Ingår i Physica. E, Low-Dimensional systems and nanostructures, s. 23-28, 2018.

  • Guha, Anku; Vineesh, Thazhe Veettil; Sekar, Archana; Narayanaru, Sreekanth et al.

    Mechanistic Insight into Enhanced Hydrogen Evolution Reaction Activity of Ultrathin Hexagonal Boron Nitride-Modified Pt Electrodes

    Ingår i ACS Catalysis, s. 6636-6644, 2018.

  • Naqvi, Syeda Rabab; Hussain, Tanveer; Luo, Wei; Ahuja, Rajeev et al.

    Metallized siligraphene nanosheets (SiC7) as high capacity hydrogen storage materials

    Ingår i Nano Reseach, s. 3802-3813, 2018.

  • Nilsson, Johan O.; Leetmaa, Mikael; Wang, Baochang; Zguns, Pjotrs A. et al.

    Modeling Kinetics of Water Adsorption on the Rutile TiO2 (110) Surface: Influence of Exchange-Correlation Functional

    Ingår i Physica status solidi. B, Basic research, 2018.

  • Krishnamurthy, Shrreya; Naphade, Rounak; Mir, Wasim J.; Gosavi, Suresh et al.

    Molecular and Self-Trapped Excitonic Contributions to the Broadband Luminescence in Diamine-Based Low-Dimensional Hybrid Perovskite Systems

    Ingår i Advanced Optical Materials, 2018.

  • Aperis, Alex; Oppeneer, Peter M.

    Multiband full-bandwidth anisotropic Eliashberg theory of interfacial electron-phonon coupling and high-Tc superconductivity in FeSe/SrTiO3

    Ingår i Physical Review B. Condensed Matter and Materials Physics, s. 060501(R)-, 2018.

  • Kumar, Sunil; Magotra, Verjesh Kumar; Jeon, H. C.; Kang, T. W. et al.

    Multifunctional ammonium fuel cell using compost as a novel electro-catalyst

    Ingår i Journal of Power Sources, s. 221-228, 2018.

  • Sinelnikova, Anna; Niemi, Antti; Nilsson, Johan; Ulybyshev, M. et al.

    Multiple scales and phases in discrete chains with application to folded proteins

    Ingår i Physical review. E, 2018.

  • Djouambi, Nadia; Bougheloum, Chafika; Messalhi, Abdelrani; Bououdina, Mohamed et al.

    New Concept on Photocatalytic Degradation of Thiophene Derivatives: Experimental and DFT Studies

    Ingår i The Journal of Physical Chemistry C, s. 15646-15651, 2018.

  • Farronato, M.; Bidermane, Ieva; Lüder, Johann; Bouvet, M. et al.

    New Quadratic Self-Assembly of Double-Decker Phthalocyanine on Gold(111) Surface: From Macroscopic to Microscopic Scale

    Ingår i The Journal of Physical Chemistry C, s. 26480-26488, 2018.

  • Herper, Heike C.

    Ni-based Heusler compounds: How to tune the magnetocrystalline anisotropy

    Ingår i Physical Review B, 2018.

  • Shiranzaei, Mahroo; Fransson, Jonas; Cheraghchi, Hosein; Parhizgar, Fariborz et al.

    Nonlinear spin susceptibility in topological insulators

    Ingår i Physical Review B, 2018.

  • Thonig, Danny; Kvashnin, Yaroslav; Eriksson, Olle; Pereiro, Manuel et al.

    Nonlocal Gilbert damping tensor within the torque-torque correlation model

    Ingår i Physical review materials, 2018.

  • Wouk de Menezes, Luana Cristina; Renzi, Wesley; do Nascimento Marchiori, Cleber Fabiano; Queiroz Martins de Oliveira, Camilla Karla Brites et al.

    Nonradiative Energy Transfer between Porphyrin and Copolymer in Films Processed by Organic Solvent and Water-Dispersible Nanoparticles with Photovoltaic Applications

    Ingår i The Journal of Physical Chemistry C, s. 5796-5804, 2018.

  • Hosen, M. Mofazzel; Dimitri, Klauss; Aperis, Alex; Maldonado, Pablo et al.

    Observation of gapless Dirac surface states in ZrGeTe

    Ingår i Physical Review B, 2018.

  • Triola, Christopher; Black-Schaffer, Annica M.

    Odd-frequency pairing and Kerr effect in the heavy-fermion superconductor UPt3

    Ingår i Physical Review B, 2018.

  • Cayao, Jorge; Black-Schaffer, Annica M.

    Odd-frequency superconducting pairing in junctions with Rashba spin-orbit coupling

    Ingår i Physical Review B, 2018.

  • Tsintzis, Athanasios

    Odd-frequency superconducting pairing in Kitaev-based junctions

    2018.

    Open access
  • Damas, Giane; Marchiori, Cleber F. N.; Araujo, Carlos Moyses

    On the Design of Donor Acceptor Conjugated Polymers for Photocatalytic Hydrogen Evolution Reaction: First-Principles Theory-Based Assessment

    Ingår i The Journal of Physical Chemistry C, s. 26876-26888, 2018.

  • Witte, Katharine; Mantouvalou, Ioanna; Sanchez-de-Armas, Rocio; Lokstein, Heiko et al.

    On the Electronic Structure of Cu Chlorophyllin and Its Breakdown Products: A Carbon K-Edge X-ray Absorption Spectroscopy Study

    Ingår i Journal of Physical Chemistry B, s. 1846-1851, 2018.

  • Mondal, Ritwik; Berritta, Marco; Nandy, Ashis K.; Oppeneer, Peter M. et al.

    On the origin of magnetic inertia: a rigorous relativistic Dirac theory derivation

    Ingår i SPINTRONICS XI, 2018.

  • Choi, Young Won; Koo, Yang Mo; Kwon, Se Kyun; Vitos, Levente et al.

    Ordered Phases in Fe-Si Alloys: A First-Principles Study

    Ingår i Journal of the Korean Physical Society, s. 737-740, 2018.

  • Xu, Guofu; Tong, Dianmin; Sjöqvist, Erik

    Path-shortening realizations of nonadiabatic holonomic gates

    Ingår i Physical Review A. Atomic, Molecular, and Optical Physics, 2018.

    Open access
  • Smekhova, A.; La Torre, E.; Szyjka, T.; Eggert, B. et al.

    Peculiarities of disorder-induced ferromagnetism phenomena in Fe60Al40 films on a local scale

    Ingår i 2018 IEEE International Magnetic Conference (INTERMAG), 2018.

  • Žguns, Pjotrs A.; Ruban, Andrei V; Skorodumova, Natalia V.

    Phase diagram and oxygen–vacancy ordering in the CeO2–Gd2O3 system: a theoretical study

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 11805-11818, 2018.

  • Huang, Shuo; Li, Wei; Holmström, Erik; Vitos, Levente et al.

    Phase-transition assisted mechanical behavior of TiZrHfTax high-entropy alloys

    Ingår i Scientific Reports, 2018.

    Open access
  • Dong, Zhihua; Schonecker, Stephan; Li, Wei; Kwon, Se Kyun et al.

    Plastic deformation modes in paramagnetic gamma-Fe from longitudinal spin fluctuation theory

    Ingår i International journal of plasticity, s. 43-53, 2018.

  • Björnson, Kristofer; Black-Schaffer, Annica M.

    Probing chiral edge states in topological superconductors through spin-polarized local density of state measurements

    Ingår i Physical Review B, 2018.

  • Häggsalen, Ångströmlaboratoriet, Lägerhyddsvägen 2, Uppsala 2018-06-14 kl 13:31

    Vasquez Jaramillo, Juan David

    Probing Magnetism at the Atomic Scale:  Non-Equilibrium Statistical Mechanics Theoretical Treatise

    Open access
  • Negi, Devendra Singh; Idrobo, Juan Carlos; Rusz, Jan

    Probing the localization of magnetic dichroism by atomic-size astigmatic and vortex electron beams

    Ingår i Scientific Reports, 2018.

    Open access
  • Awoga, Oladunjoye; Black-Schaffer, Annica M.

    Probing unconventional superconductivity in proximitized graphene by impurity scattering

    Ingår i Physical Review B, 2018.

  • Negi, Devendra Singh; Jones, Lewys; Idrobo, Juan-Carlos; Rusz, Jan et al.

    Proposal for a three-dimensional magnetic measurement method with nanometer-scale depth resolution

    Ingår i Physical Review B, 2018.

  • Reid, A. H.; Shen, X.; Maldonado, Pablo; Chase, T. et al.

    Publisher Correction: Beyond a phenomenological description of magnetostriction

    Ingår i Nature Communications, 2018.

    Open access
  • Benhouria, Y.; Bouziani, I.; Essaoudi, I.; Ainane, Abdelmajid et al.

    Quantum Monte Carlo study of dynamic magnetic properties of nano-graphene

    Ingår i Journal of Magnetism and Magnetic Materials, s. 223-228, 2018.

  • Migas, D. B.; Bogorodz, V. O.; Filonov, A. B.; Borisenko, V. E. et al.

    Quasi-2D silicon structures based on ultrathin Me2Si (Me = Mg, Ca, Sr, Ba) films

    Ingår i Surface Science, s. 51-57, 2018.

  • Chafai, A.; Essaoudi, I.; Ainane, A.; Dujardin, F. et al.

    Recombination energy for negatively charged excitons inside type-II core/shell spherical quantum dots

    Ingår i Physica. E, Low-Dimensional systems and nanostructures, s. 125-130, 2018.

  • Zhou, Yu; Silva, Jose Luis; Woods, John M.; Pondick, Joshua V. et al.

    Revealing the Contribution of Individual Factors to Hydrogen Evolution Reaction Catalytic Activity

    Ingår i Advanced Materials, 2018.

  • You, Wenjing; Tengdin, Phoebe; Chen, Cong; Shi, Xun et al.

    Revealing the Nature of the Ultrafast Magnetic Phase Transition in Ni by Correlating Extreme Ultraviolet Magneto-Optic and Photoemission Spectroscopies

    Ingår i Physical Review Letters, 2018.

  • Pincini, D.; Fabrizi, F.; Beutier, G.; Nisbet, G. et al.

    Role of the orbital moment in a series of isostructural weak ferromagnets

    Ingår i Physical Review B, 2018.

    Open access
  • Reddy, Indukuru Ramesh; Oppeneer, Peter M.; Tarafder, Kartick

    Route to achieving giant magnetoelectric coupling in BaTiO3/Sr-2 CoO3F perovskite heterostructures

    Ingår i Physical Review B, 2018.

  • Wang, Shujiang; Nawale, Ganesh N.; Kadekar, Sandeep; Oommen, Oommen P. et al.

    Saline Accelerates Oxime Reaction with Aldehyde and Keto Substrates at Physiological pH

    Ingår i Scientific Reports, 2018.

    Open access
  • Serantes, David; Pereiro, Manuel; Chantrell, Roy; Baldomir, Daniel et al.

    Scaling the effect of the dipolar interactions on the ZFC/FC curves of random nanoparticle assemblies

    Ingår i Journal of Magnetism and Magnetic Materials, s. 28-33, 2018.

  • Banerjee, Amitava; Chakraborty, Sudip; Jena, Naresh K.; Ahuja, Rajeev et al.

    Scrupulous Probing of Bifunctional Catalytic Activity of Borophene Monolayer: Mapping Reaction Coordinate with Charge Transfer

    Ingår i ACS Applied Energy Materials, s. 3571 3571-3576 3576, 2018.

  • Eriksson, Olle

    Searching for materials with reduced dimension

    Ingår i Nature Nanotechnology, s. 180-181, 2018.

  • Schrodi, Fabian; Aperis, Alex; Oppeneer, Peter M.

    Self-consistent temperature dependence of quasiparticle bands in monolayer FeSe on SrTiO3

    Ingår i Physical Review B, 2018.

  • Pradhan, Saurabh; Fransson, Jonas

    Shot noise as a probe of spin-correlated transport through single atoms

    Ingår i Physical Review B, 2018.

  • Å2001, Ångströmlaboratoriet, Lägerhyddsvägen 1, Uppsala 2018-06-12 kl 09:00

    Spiegelberg, Jakob

    Signal Processing Tools for Electron Microscopy

    Open access
  • Schneider, Sebastian; Negi, Devendra Singh; Stolt, Matthew J.; Jin, Song et al.

    Simple method for optimization of classical electron magnetic circular dichroism measurements: The role of structure factor and extinction distances

    Ingår i PHYSICAL REVIEW MATERIALS, 2018.

  • Zhao, Xin; Hu, Jun; Wu, Bo; Banerjee, Amitava et al.

    Simultaneous enhancement in charge separation and onset potential for water oxidation in a BiVO4 photoanode by W-Ti codoping

    Ingår i Journal of Materials Chemistry A, s. 16965-16974, 2018.

  • Michaud, Jérôme; Szilva, Attila

    Social influence with recurrent mobility and multiple options

    Ingår i Physical Review E. Statistical, Nonlinear, and Soft Matter Physics, 2018.

    Open access
  • Björnson, Kristofer; Black-Schaffer, Annica M.

    Solid-state Stern-Gerlach spin splitter for magnetic field sensing, spintronics, and quantum computing

    Ingår i Beilstein Journal of Nanotechnology, s. 1558-1563, 2018.

    Open access
  • Lanzilotto, Valeria; Silva, Jose Luis; Zhang, Teng; Stredansky, Matus et al.

    Spectroscopic Fingerprints of Intermolecular H-Bonding Interactions in Carbon Nitride Model Compounds

    Ingår i Chemistry - A European Journal, s. 14198-14206, 2018.

  • Cramer, Joel; Ritzmann, Ulrike; Dong, Bo-Wen; Jaiswal, Samridh et al.

    Spin transport across antiferromagnets induced by the spin Seebeck effect

    Ingår i Journal of Physics D, 2018.

  • Etter, Sarah B.; Bouhon, Adrien; Sigrist, Manfred

    Spontaneous surface flux pattern in chiral p-wave superconductors

    Ingår i Physical Review B, 2018.

  • Shukla, Vivekanand; Grigoriev, Anton; Jena, Naresh K.; Ahuja, Rajeev et al.

    Strain controlled electronic and transport anisotropies in two-dimensional borophene sheets

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 22952-22960, 2018.

  • Huang, Shuo; Li, Wei; Holmstrom, Erik; Vitos, Levente et al.

    Strengthening Induced by MagnetoChemical Transition in Al-Doped Fe-Cr-Co-Ni High-Entropy Alloys

    Ingår i Physical Review Applied, 2018.

  • Tsuppayakorn-aek, Prutthipong; Luo, Wei; Watcharatharapong, Teeraphat; Ahuja, Rajeev et al.

    Structural prediction of host-guest structure in lithium at high pressure

    Ingår i Scientific Reports, 2018.

    Open access
  • Wang, Bao-Tian; Liu, Peng-Fei; Bo, Tao; Yin, Wen et al.

    Superconductivity in two-dimensional phosphorus carbide (β(o)-PC)

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 12362-12367, 2018.

  • Hussain, T.; Vovusha, Hakkim; Umer, R.; Ahuja, Rajeev et al.

    Superior sensing affinities of acetone towards vacancy induced and metallized ZnO monolayers

    Ingår i Applied Surface Science, s. 711-716, 2018.

  • Schmitz-Antoniak, Carolin; Schmitz, Detlef; Warland, Anne; Darbandi, Masih et al.

    Suppression of the Verwey Transition by Charge Trapping

    Ingår i Annalen der Physik, 2018.

    Open access
  • Pa, Jaya; Bhunia, Amit; Chakraborty, Sudip; Manna, Suman et al.

    Synthesis and Optical Properties of Colloidal M3Bi2I9 (M = Cs, Rb) Perovskite Nanocrystals

    Ingår i The Journal of Physical Chemistry C, s. 10643-10649, 2018.

  • Kocevski, Vancho

    Temperature dependence of radiative lifetimes, optical and electronic properties of silicon nanocrystals capped with various organic ligands

    Ingår i Journal of Chemical Physics, 2018.

  • Li, Xiaoqing; Schonecker, Stephan; Li, Wei; Varga, Lajos K. et al.

    Tensile and shear loading of four fcc high-entropy alloys: A first-principles study

    Ingår i Physical Review B, 2018.

  • Espinosa-Garcia, W. F.; Perez-Walton, S.; Osorio-Guillen, J. M.; Araujo, Carlos Moyses et al.

    The electronic and optical properties of the sulvanite compounds: a many-body perturbation and time-dependent density functional theory study

    Ingår i Journal of Physics, 2018.

  • Phuyal, Dibya; Jain, Sagar Motilal; Philippe, Bertrand; Johansson, Malin B et al.

    The electronic structure and band interface of cesium bismuth iodide on a titania heterostructure using hard X-ray spectroscopy

    Ingår i Journal of Materials Chemistry A, s. 9498-9505, 2018.

    Open access
  • Tsuppayakorn-aek, Prutthipong; Luo, Wei; Ahuja, Rajeev; Bovornratanaraks, Thiti et al.

    The High-Pressure Superconducting Phase of Arsenic

    Ingår i Scientific Reports, 2018.

    Open access
  • Tsuppayakorn-aek, Prutthipong; Luo, Wei; Pungtrakoon, Wirunti; Chuenkingkeaw, Kittana et al.

    The ideal commensurate value of Sc and the superconducting phase under high pressure

    Ingår i Journal of Applied Physics, 2018.

  • Lazarevic-Pasti, Tamara; Anicijevic, Vladan; Baljozovic, Milos; Anicijevic, Dragana Vasic et al.

    The impact of the structure of graphene-based materials on the removal of organophosphorus pesticides from water

    Ingår i ENVIRONMENTAL SCIENCE-NANO, s. 1482 1482-1494 1494, 2018.

  • Oubelkacem, A.; Benhouria, Y.; Essaoudi, I.; Ainane, Abdelmajid et al.

    The magnetic properties and hysteresis behaviors of the mixed spin-(1/2,1) Ferrimagnetic nanowire

    Ingår i Physica. B, Condensed matter, s. 82-86, 2018.

  • Lee, J. -Y; Punkkinen, M. P. J.; Schönecker, S.; Nabi, Z. et al.

    The surface energy and stress of metals

    Ingår i Surface Science, s. 51-68, 2018.

  • Polhemsalen, Ångströmlaboratoriet, Lägerhyddsvägen 1, Uppsala 2018-11-30 kl 13:15

    Schött, Johan

    Theoretical and Computational Studies of Strongly Correlated Electron Systems: Dynamical Mean Field Theory, X-ray Absorption Spectroscopy and Analytical Continuation

    Open access
  • Jimlim, Pornmongkol; Kotmool, Komsilp; Pinsook, Udomsilp; Assabumrungrat, Suttichai et al.

    Theoretical aspects in structural distortion and the electronic properties of lithium peroxide under high pressure

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 9488-9497, 2018.

  • Almeida, Roseley; Banerjee, Amitava; Chakraborty, Sudip; Almeida, Jailton et al.

    Theoretical Evidence behind Bifunctional Catalytic Activity in Pristine and Functionalized Al2C Monolayers

    Ingår i ChemPhysChem, s. 148-152, 2018.

  • Kansara, Shivam; Gupta, Sanjeev K.; Sonvane, Yogesh; Hussain, Tanveer et al.

    Theoretical Investigation of Metallic Nanolayers For Charge-Storage Applications

    Ingår i ACS APPLIED ENERGY MATERIALS, s. 3428 3428-3433 3433, 2018.

  • Heciri, D.; Belkhir, H.; Hamidani, A.; Bououdina, M. et al.

    Theoretical investigation of structural, electronic and optical properties of (BeS)(1) /(BeSe)(1), (BeSe)(1)/(BeTe)(1) and (BeS)(1)/(BeTe)(1) superlattices under pressure

    Ingår i Chemical Physics Letters, s. 71-84, 2018.

  • Long, Debing; Li, Mingkai; Meng, Dongxue; Ahuja, Rajeev et al.

    Theoretical investigation of the structural, electronic, and thermodynamic properties of CdS1-xSex alloys

    Ingår i Journal of Applied Physics, 2018.

  • Häggsalen, Ångströmlaboratoriet, Uppsala 2018-03-27 kl 09:30

    Bondarenko, Nina

    Theoretical studies of lattice- and spin-polarons

    Open access
  • Dong, Zhihua; Schonecker, Stephan; Li, Wei; Chen, Dengfu et al.

    Thermal spin fluctuations in CoCrFeMnNi high entropy alloy

    Ingår i Scientific Reports, 2018.

    Open access
  • Prasongkit, Jariyanee; Martins, Ernane de Freitas; de Souza, Fabio A. L.; Scopel, Wanderla L. et al.

    Topological Line Defects Around Graphene Nanopores for DNA Sequencing

    Ingår i The Journal of Physical Chemistry C, s. 7094-7099, 2018.

  • de Souza, Fabio A. L.; Amorim, Rodrigo G.; Prasongkit, Jariyanee; Scopel, Wanderlä L. et al.

    Topological line defects in graphene for applications in gas sensing

    Ingår i Carbon, s. 803-808, 2018.

  • Bouhon, Adrien; Schmidt, Johann; Black-Schaffer, Annica M.

    Topological nodal superconducting phases and topological phase transition in the hyperhoneycomb lattice

    Ingår i Physical Review B, 2018.

  • Schmidt, Johann; Scherer, Daniel D.; Black-Schaffer, Annica M.

    Topological superconductivity in the extended Kitaev-Heisenberg model

    Ingår i Physical Review B, 2018.

  • Galler, Anna; Kaufmann, Josef; Gunacker, Patrik; Pickem, Matthias et al.

    Towards ab initio Calculations with the Dynamical Vertex Approximation

    Ingår i Journal of the Physical Society of Japan, 2018.

  • Balaz, Pavel; Zonda, Martin; Carva, Karel; Maldonado, Pablo et al.

    Transport theory for femtosecond laser-induced spin-transfer torques

    Ingår i Journal of Physics, 2018.

  • Ritzmann, Ulrike; von Malottki, Stephan; Kim, Joo-Von; Heinze, Stefan et al.

    Trochoidal motion and pair generation in skyrmion and antiskyrmion dynamics under spin-orbit torques

    Ingår i NATURE ELECTRONICS, s. 451 451-457 457, 2018.

  • Pasti, Igor A.; Johansson, Börje; Skorodumova, Natalia V.

    Tunable reactivity of supported single metal atoms by impurity engineering of the MgO(001) support

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 6337-6346, 2018.

  • Tien, Nguyen Thanh; Phuc, Vo Trung; Ahuja, Rajeev

    Tuning electronic transport properties of zigzag graphene nanoribbons with silicon doping and phosphorus passivation

    Ingår i AIP Advances, 2018.

    Open access
  • Borla, Umberto; Kuzmanovski, Dushko; Black-Schaffer, Annica M.

    Tuning Majorana zero modes with temperature in pi-phase Josephson junctions

    Ingår i Physical Review B, 2018.

  • Jovanovic, Aleksandar; Petkovic, Milena; Pasti, Igor A.; Johansson, Börje et al.

    Tuning the electronic and chemisorption properties of hexagonal MgO nanotubes by doping: Theoretical study

    Ingår i Applied Surface Science, s. 1158-1166, 2018.

  • Huang, Shuo; Huang, He; Li, Wei; Kim, Dongyoo et al.

    Twinning in metastable high-entropy alloys

    Ingår i Nature Communications, 2018.

    Open access
  • Barthel, J.; Mayer, J.; Rusz, Jan; Ho, P. -L et al.

    Understanding electron magnetic circular dichroism in a transition potential approach

    Ingår i Physical Review B, 2018.

  • Li, Xiaojie; Li, Xiaoqing; Schonecker, Stephan; Li, Ruihuan et al.

    Understanding the mechanical properties of reduced activation steels

    Ingår i Materials & design, s. 260-272, 2018.

  • Mondal, Ritwik; Berritta, Marco; Oppeneer, Peter M.

    Unified theory of magnetization dynamics with relativistic and nonrelativistic spin torques

    Ingår i Physical Review B, 2018.

  • Cossu, Fabrizio; Moghaddam, Ali G.; Kim, Kyoo; Tahini, Hassan A. et al.

    Unveiling hidden charge density waves in single-layer NbSe2 by impurities

    Ingår i Physical Review B, 2018.

  • Svensson, Pamela H.W.

    Valence Band Properties of the Ruthenium Complex Catalyst Using Ab Initio Theory

    2018.

    Open access
  • Arjmandi-Tash, Hadi; Bellunato, Amedeo; Wen, Chenyu; Olsthoorn, Rene C. et al.

    Zero-Depth Interfacial Nanopore Capillaries

    Ingår i Advanced Materials, 2018.

    Open access
  • Mir, Showkat H.; Chakraborty, Sudip; Wärnå, John; Narayan, Som et al.

    A comparative study of hydrogen evolution reaction on pseudo-monolayer WS2 and PtS2: insights based on the density functional theory

    Ingår i Catalysis Science & Technology, s. 687-692, 2017.

  • Dobrota, Ana S.; Pasti, Igor A.; Mentus, Slavko V.; Skorodumova, Natalia V. et al.

    A DFT study of the interplay between dopants and oxygen functional groups over the graphene basal plane - implications in energy-related applications

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 8530-8540, 2017.

  • Tian, Li-Yun; Lizarraga, Raquel; Larsson, Henrik; Holmstrom, Erik et al.

    A first principles study of the stacking fault energies for fcc Co-based binary alloys

    Ingår i Acta Materialia, s. 215-223, 2017.

  • Autieri, Carmine; Sanyal, Biplab

    A systematic study of 4d and 5d transition metal mediated exchange coupling between Fe and Gd nanolaminates

    Ingår i Journal of Physics, 2017.

  • Qian, Zhao; Raghubanshi, Himanshu; Hudson, M. Sterlin Leo; Srivastava, O. N. et al.

    Ab initio insight into graphene nanofibers to destabilize hydrazine borane for hydrogen release

    Ingår i Chemical Physics Letters, s. 110-114, 2017.

  • Béland, Laurent Karim; Tamm, Artur; Mu, Sai; Samolyuk, German D. et al.

    Accurate classical short-range forces for the study of collision cascades in Fe-Ni-Cr

    Ingår i Computer Physics Communications, s. 11-19, 2017.

  • Tian, Li-Yun; Wang, Guisheng; Harris, Joshua S.; Irving, Douglas L. et al.

    Alloying effect on the elastic properties of refractory high-entropy alloys

    Ingår i Materials & design, s. 243-252, 2017.

  • Kádas, Krisztina; Iusan, Diana; Hellsvik, J.; Cedervall, Johan et al.

    AlM2B2 (M =Cr, Mn, Fe, Co, Ni): a group of nanolaminated materials

    Ingår i Journal of Physics, 2017.

  • Pati, Palas Baran; Damas, Giane; Tian, Lei; Fernandes, Daniel L. A. et al.

    An experimental and theoretical study of an efficient polymer nano-photocatalyst for hydrogen evolution

    Ingår i Energy & Environmental Science, s. 1372-1376, 2017.

    Open access
  • Song, Dongsheng; Tavabi, Amir H.; Li, Zi-An; Kovács, András et al.

    An in-plane magnetic chiral dichroism approach for measurement of intrinsic magnetic signals using transmitted electrons

    Ingår i Nature Communications, 2017.

    Open access
  • Spiegelberg, Jakob; Rusz, Jan; Thersleff, Thomas; Pelckmans, Kristiaan et al.

    Analysis of electron energy loss spectroscopy data using geometric extraction methods

    Ingår i Ultramicroscopy, s. 14-26, 2017.

  • Ostlin, A.; Vitos, Levente; Chioncel, L.

    Analytic continuation-free Green's function approach to correlated electronic structure calculations

    Ingår i Physical Review B, 2017.

  • Sun, Weiwei; Luo, Wei; Feng, Qingguo; Ahuja, Rajeev et al.

    Anisotropic distortion and Lifshitz transition in alpha-Hf under pressure

    Ingår i Physical Review B, 2017.

  • Araujo, Rafael B.; Banerjee, Amitava; Panigrahi, Puspamitra; Yang, Li et al.

    Assessing Electrochemical Properties of Polypyridine and Polythiophene for Prospective Application in Sustainable Organic Batteries

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 3307-3314, 2017.

  • Al-Zoubi, N.; Schönecker, S.; Johansson, Börje; Vitos, Levente et al.

    Assessing the Exact Muffin-Tin Orbitals method for the Bain path of metals

    Ingår i Philosophical Magazine, s. 1243-1264, 2017.

  • Pohl, Darius; Schneider, Sebastian; Zeiger, Paul; Rusz, Jan et al.

    Atom size electron vortex beams with selectable orbital angular momentum

    Ingår i Scientific Reports, 2017.

    Open access
  • Hausmann, Simon; Ye, Jingfan; Aoki, Toshihiro; Zheng, Jian-Guo et al.

    Atomic-scale engineering of ferroelectric-ferromagnetic interfaces of epitaxial perovskite films for functional properties

    Ingår i Scientific Reports, 2017.

    Open access
  • Polhemsalen, Ångströmlaboratoriet, Lägerhyddsvägen 1, Uppsala 2017-02-27 kl 09:00

    Koumpouras, Konstantinos

    Atomistic spin dynamics and relativistic effects in chiral nanomagnets

    Open access
  • Beutier, G.; Collins, S. P.; Dimitrova, O. V.; Dmitrienko, V. E. et al.

    Band Filling Control of the Dzyaloshinskii-Moriya Interaction in Weakly Ferromagnetic Insulators

    Ingår i Physical Review Letters, 2017.

    Open access
  • Eriksson, Karl-Erik; Cederwall, Martin; Lindgren, Kristian; Sjöqvist, Erik et al.

    Bifurcation in Quantum Measurement

    2017.

  • Jena, Naresh K.; Araujo, Rafael Barros Neves de; Shukla, Vivekanand; Ahuja, Rajeev et al.

    Borophane as a Benchmate of Graphene: A Potential 2D Material for Anode of Li and Na-Ion Batteries

    Ingår i ACS Applied Materials and Interfaces, s. 16148-16158, 2017.

  • Mahani, M. R.; Mirsakiyeva, A.; Delin, Anna

    Breakdown of Polarons in Conducting Polymers at Device Field Strengths

    Ingår i The Journal of Physical Chemistry C, s. 10317-10324, 2017.

  • Banerjee, Amitava; Chakraborty, Sudip; Ahuja, Rajeev

    Bromination-induced stability enhancement with a multivalley optical response signature in guanidinium [C(NH2)(3)](+)-based hybrid perovskite solar cells

    Ingår i Journal of Materials Chemistry A, s. 18561-18568, 2017.

  • Spiegelberg, Jakob; Rusz, Jan

    Can we use PCA to detect small signals in noisy data?

    Ingår i Ultramicroscopy, s. 40-46, 2017.

  • Li, Linyang; Kong, Xiangru; Leenaerts, Ortwin; Chen, Xin et al.

    Carbon-rich carbon nitride monolayers with Dirac cones: Dumbbell C4N

    Ingår i Carbon, s. 285-290, 2017.

  • Hertting, Nils; Ottosson, Henrik

    Case Uppsala, Campus Polacksbacken:  Location, surrounding, stakeholders

    Ingår i Dreams and Seeds. The Role of Campuses and Sustainable Urban Development, s. 51-55, 2017.

  • Jaramillo, Juan David Vasquez; Fransson, Jonas

    Charge Transport and Entropy Production Rate in Magnetically Active Molecular Dimer

    Ingår i The Journal of Physical Chemistry C, s. 27357-27368, 2017.

  • Liu, Yuhang

    Chromium Cluster on Defected Graphene

    2017.

    Open access
  • Gaikwad, Prashant V.; Pujari, Pradeep K.; Chakraborty, Sudip; Kshirsagar, Anjali et al.

    Cluster assembly route to a novel octagonal two-dimensional ZnO monolayer

    Ingår i Journal of Physics, 2017.

  • Herper, Heike C.; Ahmed, T.; Wills, J. M.; Di Marco, Igor et al.

    Combining electronic structure and many-body theory with large databases: A method for predicting the nature of 4 f states in Ce compounds

    Ingår i PHYSICAL REVIEW MATERIALS, 2017.

    Open access
  • Xu, Guofu; Zhao, P.Z.; Xing, T.H.; Sjöqvist, Erik et al.

    Composite nonadiabatic holonomic quantum computation

    Ingår i Physical Review A. Atomic, Molecular, and Optical Physics, 2017.

  • Zhang, Teng; Brumboiu, I. E.; Lanzilotto, Valeria; Luder, J. et al.

    Conclusively Addressing the CoPc Electronic Structure: A Joint Gas-Phase and Solid-State Photoemission and Absorption Spectroscopy Study

    Ingår i The Journal of Physical Chemistry C, s. 26372-26378, 2017.

  • Zhang, Teng; Brumboiu, I. E.; Lanzilotto, Valeria; Luder, J. et al.

    Conclusively Addressing the CoPc Electronic Structure: A Joint Gas-Phase and Solid-State Photoemission and Absorption Spectroscopy Study

    Ingår i The Journal of Physical Chemistry C, s. 26372-26378, 2017.

  • Daukiya, Lakshya; Mattioli, Cristina; Aubel, Dominique; Hajjar-Garreau, Samar et al.

    Covalent Functionalization by Cycloaddition Reactions of Pristine Defect-Free Graphene

    Ingår i ACS Nano, s. 627-634, 2017.

  • Tian, Li-Yun; Ye, Li-Hua; Hu, Qing-Miao; Lu, Song et al.

    CPA descriptions of random Cu-Au alloys in comparison with SQS approach

    Ingår i Computational materials science, s. 302-309, 2017.

  • Yuldashev, Sh. U.; Yunusov, Z. A.; Kwon, Y. H.; Lee, S. H. et al.

    Critical behavior of the resistivity of GaMnAs near the Curie temperature

    Ingår i Solid State Communications, s. 38-41, 2017.

  • Geilhufe, R. Matthias; Borysov, Stanislav S.; Bouhon, Adrien; Balatsky, Alexander V. et al.

    Data Mining for Three-Dimensional Organic Dirac Materials: Focus on Space Group 19

    Ingår i Scientific Reports, 2017.

    Open access
  • Elgammal, Karim; Hugosson, Hakan W.; Smith, Anderson D.; Rasander, Mikael et al.

    Density functional calculations of graphene-based humidity and carbon dioxide sensors: effect of silica and sapphire substrates

    Ingår i Surface Science, s. 23-30, 2017.

  • Ebadi, Mahsa; Lacey, Matthew; Brandell, Daniel; Araujo, Carlos Moyses et al.

    Density Functional Theory Modeling the Interfacial Chemistry of the LiNO3 Additive for Lithium-Sulfur Batteries by Means of Simulated Photoelectron Spectroscopy

    Ingår i The Journal of Physical Chemistry C, s. 23324-23332, 2017.

  • Banerjee, Hrishit; Chakraborty, Sudip; Saha-Dasgupta, Tanusri

    Design and Control of Cooperativity in Spin-Crossover in Metal-Organic Complexes: A Theoretical Overview

    Ingår i INORGANICS, 2017.

    Open access
  • Araujo, Rafael B.; Banerjee, Amitava; Panigrahi, Puspamitra; Yang, Li et al.

    Designing strategies to tune reduction potential of organic molecules for sustainable high capacity batteries application

    Ingår i Journal of Materials Chemistry A, s. 4430-4454, 2017.

  • Lin, J.; Zhong, X. Y.; Song, C.; Rusz, Jan et al.

    Detection of magnetic circular dichroism in amorphous materials utilizing a single-crystalline overlayer

    Ingår i PHYSICAL REVIEW MATERIALS, 2017.

  • Espinosa-Garcia, W. F.; Osorio-Guillen, J. M.; Araujo, Carlos Moyses

    Dimension-dependent band alignment and excitonic effects in graphitic carbon nitride: a many-body perturbation and time-dependent density functional theory study

    Ingår i RSC Advances, s. 44997-45002, 2017.

    Open access
  • Triana, Carlos A.; Araujo, Carlos Moyses; Ahuja, Rajeev; Niklasson, Gunnar A. et al.

    Disentangling the intricate atomic short-range order and electronic properties in amorphous transition metal oxides

    Ingår i Scientific Reports, 2017.

    Open access
  • Awoga, Oladunjoye; Björnson, Kristofer; Black-Schaffer, Annica M.

    Disorder robustness and protection of Majorana bound states in ferromagnetic chains on conventional superconductors

    Ingår i Physical Review B, 2017.

  • Chen, Cong; Tao, Zhensheng; Carr, Adra; Matyba, Piotr et al.

    Distinguishing attosecond electron-electron scattering and screening in transition metals

    Ingår i Proceedings of the National Academy of Sciences of the United States of America, s. E5300-E5307, 2017.

  • Araujo, Rafael Barros Neves de; Banerjee, Amitava; Ahuja, Rajeev

    Divulging the Hidden Capacity and Sodiation Kinetics of NaxC6Cl4O2: A High Voltage Organic Cathode for Sodium Rechargeable Batteries

    Ingår i The Journal of Physical Chemistry C, s. 14027-14036, 2017.

  • Awoga, Oladunjoye A.; Bouhon, Adrien; Black-Schaffer, Annica M.

    Domain walls in a chiral d-wave superconductor on the honeycomb lattice

    Ingår i Physical Review B, 2017.

  • Watcharatharapong, Teeraphat; Sundaram, Manickam Minakshi; Chakraborty, Sudip; Li, Dan et al.

    Effect of Transition Metal Cations on Stability Enhancement for Molybdate-Based Hybrid Supercapacitor

    Ingår i ACS Applied Materials and Interfaces, s. 17977-17991, 2017.

  • Li, Xiaoqing; Schönecker, Stephan; Zhao, Jijun; Vitos, Levente et al.

    Elastic anharmonicity of bcc Fe and Fe-based random alloys from first-principles calculations

    Ingår i Physical Review B, 2017.

  • Dong, Zhihua; Schonecker, Stephan; Chen, Dengfu; Li, Wei et al.

    Elastic properties of paramagnetic austenitic steel at finite temperature: Longitudinal spin fluctuations in multicomponent alloys

    Ingår i Physical Review B, 2017.

    Open access
  • de Souza, Fabio A. L.; Amorim, Rodrigo G.; Scopel, Wanderla L.; Scheicher, Ralph H. et al.

    Electrical detection of nucleotides via nanopores in a hybrid graphene/h-BN sheet

    Ingår i Nanoscale, s. 2207-2212, 2017.

  • Xie, Ling; Jarolimek, Karol; Kocevski, Vancho; Rusz, Jan et al.

    Electron tomography analysis of 3D interfacial nanostructures appearing in annealed Si rich SiC films

    Ingår i Nanoscale, s. 6703-6710, 2017.

    Open access
  • Seminar room, Federal University of Pará, Av. Augusto Correa, 01., Belém 2017-06-02 kl 13:15

    Rodrigues, Debora C. M.

    Electronic Structure and Atomistic Spin Dynamics of Nanostructured Materials

    Open access
  • Totani, R.; Grazioli, C.; Zhang, T.; Bidermane, I. et al.

    Electronic structure investigation of biphenylene films

    Ingår i Journal of Chemical Physics, 2017.

  • Yamaoka, Hitoshi; Thunström, Patrik; Tsujii, Naohito; Katoh, Kenichi et al.

    Electronic structure of ferromagnetic heavy fermion, YbPdSi, YbPdGe, and YbPtGe studied by photoelectron spectroscopy, x-ray emission spectroscopy, and DFT plus DMFT calculations

    Ingår i Journal of Physics, 2017.

  • Kanski, J.; Ilver, L.; Karlsson, K.; Ulfat, I. et al.

    Electronic structure of (Ga, Mn) As revisited

    Ingår i New Journal of Physics, 2017.

    Open access
  • Gond, Ritambhara; Meena, Sher Singh; Yusuf, S. M.; Shukla, Vivekanand et al.

    Enabling the Electrochemical Activity in Sodium Iron Metaphosphate [NaFe(PO3)(3)] Sodium Battery Insertion Material: Structural and Electrochemical Insights

    Ingår i Inorganic Chemistry, s. 5918-5929, 2017.

  • Polhemsalen, Ångström Laboratory, Lägerhyddsvägen 1, Uppsala 2017-12-07 kl 13:15

    Araújo, Rafael Barros Neves de

    Energy Storage Materials: Insights From ab Initio Theory: Diffusion, Structure, Thermodynamics and Design.

    Open access
  • Ragupathi, V.; Safiq, M.; Panigrahi, P.; Hussain, Tanveer et al.

    Enhanced electrochemical performance of LiMnBO3 with conductive glassy phase: a prospective cathode material for lithium-ion battery

    Ingår i Ionics (Kiel), s. 1645-1653, 2017.

  • von Malottki, S.; Dupe, B.; Bessarab, P. F.; Delin, Anna et al.

    Enhanced skyrmion stability due to exchange frustration

    Ingår i Scientific Reports, 2017.

    Open access
  • Salikhov, Ruslan; Reichel, Ludwig; Zingsem, B.; Abrudan, R. et al.

    Enhanced spin–orbit coupling in tetragonally strained Fe–Co–B films

    Ingår i Journal of Physics, 2017.

  • Borlenghi, Simone; Iubini, Stefano; Lepri, Stefano; Fransson, Jonas et al.

    Entropy production for complex Langevin equations

    Ingår i Physical review. E, 2017.

  • Somphonsane, R.; Ramamoorthy, H.; He, G.; Nathawat, J. et al.

    Evaluating the Sources of Graphene's Resistivity Using Differential Conductance

    Ingår i Scientific Reports, 2017.

    Open access
  • Somphonsane, R.; Ramamoorthy, H.; He, G.; Nathawat, J. et al.

    Evaluating the Sources of Graphene's Resistivity Using Differential Conductance

    Ingår i Scientific Reports, 2017.

    Open access
  • Muduli, Subas Kumar; Varrla, Eswaraiah; Xu, You; Kulkarni, Sneha Avinash et al.

    Evolution of hydrogen by few-layered black phosphorus under visible illumination

    Ingår i Journal of Materials Chemistry A, s. 24874-24879, 2017.

  • Bekaert, J.; Aperis, Alex; Partoens, B.; Oppeneer, Peter M. et al.

    Evolution of multigap superconductivity in the atomically thin limit: Strain-enhanced three-gap superconductivity in monolayer MgB2

    Ingår i Physical Review B, 2017.

  • Ivanov, Sergey A.; Bush, A. A.; Ritter, C.; Behtin, M. A. et al.

    Evolution of the structural and multiferroic properties of PbFe2/3W1/3O3 ceramics upon Mn-doping

    Ingår i Materials Chemistry and Physics, s. 218-232, 2017.

  • Keshavarz, Samara; Kvashnin, Yaroslav O.; Rodrigues, Debora C. M.; Pereiro, Manuel et al.

    Exchange interactions of CaMnO3 in the bulk and at the surface

    Ingår i Physical Review B Condensed Matter, 2017.

  • Naqvi, Syeda Rabab; Hussain, T.; Luo, Wei; Ahuja, Rajeev et al.

    Exploring Doping Characteristics of Various Adatoms on Single-Layer Stanene

    Ingår i The Journal of Physical Chemistry C, s. 7667-7676, 2017.

  • Pan, Fan; Chico, Jonathan; Delin, Anna; Bergman, Anders et al.

    Extended spin model in atomistic simulations of alloys

    Ingår i Physical Review B, 2017.

  • Lizarraga, Raquel; Pan, Fan; Bergqvist, Lars; Holmström, Erik et al.

    First Principles Theory of the hcp-fcc Phase Transition in Cobalt

    Ingår i Scientific Reports, 2017.

    Open access
  • Li, Xiaoqing; Schönecker, Stephan

    First-principles prediction of the stacking fault energy of gold at finite temperature

    Ingår i Acta Materialia, s. 88-95, 2017.

  • de Melo Rodrigues, Debora Carvalho; Pereiro, Manuel; Bergman, Anders; Eriksson, Olle et al.

    First-principles theory of electronic structure and magnetism of Cr nano-islands on Pd(111)

    Ingår i Journal of Physics, 2017.

  • Yang, Xiao; Li, Huijian; Ahuja, Rajeev; Kang, Taewon et al.

    Formation and electronic properties of palladium hydrides and palladium-rhodium dihydride alloys under pressure

    Ingår i Scientific Reports, 2017.

    Open access
  • Bekaert, J.; Bignardi, L.; Aperis, Alex; van Abswoude, P. et al.

    Free surfaces recast superconductivity in few-monolayer MgB2: Combined first-principles and ARPES demonstration

    Ingår i Scientific Reports, 2017.

    Open access
  • Zemen, J.; Mendive-Tapia, E.; Gercsi, Z.; Banerjee, Rudra et al.

    Frustrated magnetism and caloric effects in Mn-based antiperovskite nitrides: Ab initio theory

    Ingår i Physical Review B, 2017.

  • Rusz, Jan; Lubk, Axel; Spiegelberg, Jakob; Tyutyunnikov, Dmitry et al.

    Fully nonlocal inelastic scattering computations for spectroscopical transmission electron microscopy methods

    Ingår i Physical Review B, 2017.

  • Dobrota, Ana S.; Pasti, Igor A.; Mentus, Slavko V.; Johansson, Börje et al.

    Functionalized graphene for sodium battery applications: the DFT insights

    Ingår i Electrochimica Acta, s. 185-195, 2017.

  • Autieri, Carmine; Bouhon, Adrien; Sanyal, Biplab

    Gap opening and large spin–orbit splitting in MX2 (M = Mo,W; X = S,Se,Te) from the interplay between crystal field and hybridisations: insights from ab-initio theory

    Ingår i Philosophical Magazine, s. 3381-3395, 2017.

  • Flovik, Vegard; Qaiumzadeh, Alireza; Nandy, Ashis K.; Heo, Changhoon et al.

    Generation of single skyrmions by picosecond magnetic field pulses

    Ingår i Physical Review B, 2017.

  • Bouhon, Adrien; Black-Schaffer, Annica M.

    Global band topology of simple and double Dirac-point semimetals

    Ingår i Physical Review B, 2017.

  • Smith, Anderson D.; Elgammal, Karim; Fan, Xuge; Lemme, Max C. et al.

    Graphene-based CO2 sensing and its cross-sensitivity with humidity

    Ingår i RSC Advances, s. 22329-22339, 2017.

    Open access
  • Zusin, Dmitriy; Turgut, Emrah; Legut, Dominik; Carva, Karel et al.

    Heisenberg vs. Stoner: Probing the Microscopic Picture of Ultrafast Demagnetization using High Harmonics

    Ingår i 2017 Conference on Lasers and Electro-Optics (CLEO), 2017.

  • Naqvi, Syeda Rabab; Rao, Gollu Sankar; Luo, Wei; Ahuja, Rajeev et al.

    Hexagonal Boron Nitride (h-BN) Sheets Decorated with OLi, ONa, and Li2F Molecules for Enhanced Energy Storage

    Ingår i ChemPhysChem, s. 513-518, 2017.

  • Parlak, Onur; Mishra, Yogendra Kumar; Grigoriev, Anton; Mecklenburg, Matthias et al.

    Hierarchical Aerographite nano-microtubular tetrapodal networks based electrodes as lightweight supercapacitor

    Ingår i Nano Energy, s. 570-577, 2017.

  • Parlak, O.; Kumar Mishra, Y.; Grigoriev, Anton; Mecklenburg, M. et al.

    Hierarchical Aerographite nano-microtubular tetrapodal networks based electrodes as lightweight supercapacitor

    Ingår i Nano Energy, s. 570 570-577 577, 2017.

  • Singh, Deobrat; Gupta, Sanjeev K.; Sonvane, Yogesh; Ahuja, Rajeev et al.

    High performance material for hydrogen storage: Graphenelike Si2BN solid

    Ingår i International journal of hydrogen energy, s. 22942-22952, 2017.

  • Parhizgar, Fariborz; Black-Schaffer, Annica M.

    Highly tunable time-reversal-invariant topological superconductivity in topological insulator thin films

    Ingår i Scientific Reports, 2017.

    Open access
  • Adler, Severino

    Hubbard to Falicov-Kimball-a DMFT[DMRG] study

    2017.

    Open access
  • Tian, Fuyang; Wang, Yang; Vitos, Levente

    Impact of aluminum doping on the thermo-physical properties of refractory medium-entropy alloys

    Ingår i Journal of Applied Physics, 2017.

  • Grånäs, Oscar; Kolesov, Grigory; Kaxiras, Efthimios

    Impact of Vibrations and Electronic Coherence on Electron Transfer in Flat Molecular Wires

    Ingår i MRS Advances, s. 811-816, 2017.

  • Gutic, Sanjin J.; Dobrota, Ana S.; Leetmaa, Mikael; Skorodumova, Natalia. V. et al.

    Improved catalysts for hydrogen evolution reaction in alkaline solutions through the electrochemical formation of nickel-reduced graphene oxide interface

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 13281-13293, 2017.

  • Fu, Jie; Li, Xiaoqing; Johansson, Börje; Zhao, Jijun et al.

    Improved Finnis-Sinclair potential for vanadium-rich V-Ti-Cr ternary alloys

    Ingår i Journal of Alloys and Compounds, s. 369-375, 2017.

  • Mashkoori, Mahdi; Björnson, Kristofer; Black-Schaffer, Annica M.

    Impurity bound states in fully gapped d-wave superconductors with subdominant order parameters

    Ingår i Scientific Reports, 2017.

    Open access
  • Shiranzaei, Mahroo; Parhizgar, Fariborz; Fransson, Jonas; Cheraghchi, Hosein et al.

    Impurity scattering on the surface of topological-insulator thin films

    Ingår i Physical Review B, 2017.

  • Sivaraman, Ganesh; Amorim, Rodrigo G.; Scheicher, Ralph H.; Fyta, Maria et al.

    Insights into the detection of mutations and epigenetic markers using diamondoid-functionalized sensors

    Ingår i RSC Advances, s. 43064-43072, 2017.

    Open access
  • Kuzmin, Mikhail; Lahtonen, Kimmo; Vuori, Leena; Sánchez-de-Armas, Rocío et al.

    Investigation of the structural anisotropy in a self-assembling glycinate layer on Cu(100) by scanning tunneling microscopy and density functional theory calculations

    Ingår i Applied Surface Science, s. 111-116, 2017.

  • Wei, Xiao-Ping; Sun, Weiwei; Zhang, Ya-Ling; Sun, Xiao-Wei et al.

    Investigations on electronic, Fermi surface, Curie temperature and optical properties of Zr2CoAl

    Ingår i Journal of Solid State Chemistry, s. 97-104, 2017.

  • Sjöqvist, Erik

    Kvantdatorer - beräkningsmaskiner i landet annorlunda

    Ingår i Annales Academiae Regiae Scientarium Upsaliensis, s. 69-75, 2017.

  • Song, Hongquan; Tian, Fuyang; Hu, Qing-Miao; Vitos, Levente et al.

    Local lattice distortion in high-entropy alloys

    Ingår i PHYSICAL REVIEW MATERIALS, 2017.

    Open access
  • Theiler, Andreas

    Localisation of Majorana fermions inferromagnetic impurity chains onspin-orbit coupled superconductors

    2017.

    Open access
  • Rusz, Jan; Spiegelberg, Jakob; Muto, Shunsuke; Thersleff, Thomas et al.

    Localization of magnetic circular dichroic spectra in transmission electron microscopy experiments with atomic plane resolution

    Ingår i Physical Review B, 2017.

  • Dong, Zhihua; Li, Wei; Chen, Dengfu; Schonecker, Stephan et al.

    Longitudinal spin fluctuation contribution to thermal lattice expansion of paramagnetic Fe

    Ingår i Physical Review B, 2017.

  • Girovsky, Jan; Nowakowski, Jan; Ali, Md. Ehesan; Baljozovic, Milos et al.

    Long-range ferrimagnetic order in a two-dimensional supramolecular Kondo lattice

    Ingår i Nature Communications, 2017.

    Open access
  • El Hamri, M.; Bouhou, S.; Essaoudi, I.; Ainane, Abdelmajid et al.

    Magnetic behaviors of a transverse spin-1/2 Ising cubic nanowire with core/shell structure

    Ingår i Physica. B, Condensed matter, s. 51-60, 2017.

  • Thonig, Danny; Eriksson, Olle; Pereiro, Manuel

    Magnetic moment of inertia within the torque-torque correlation model

    Ingår i Scientific Reports, 2017.

    Open access
  • Li, Mingkai; Long, Debing; Ahuja, Rajeev; He, Yunbin et al.

    Magnetic order and phase diagram of magnetic alloy system: MgxNi1-xO alloy

    Ingår i Physica status solidi. B, Basic research, 2017.

  • El Hamri, M.; Bouhou, S.; Essaoudi, I.; Ainane, Abdelmajid et al.

    Magnetic Properties of a Diluted Transverse Spin-1 Ising Nanocube with a Longitudinal Crystal-Field

    Ingår i INTERNATIONAL SYMPOSIUM ON CLUSTERS AND NANOMATERIALS, 2017.

  • Hedlund, Daniel; Cedervall, Johan; Edström, Alexander; Werwinski, Miroslaw et al.

    Magnetic properties of the Fe5SiB2−Fe5PB2 system

    Ingår i Physical Review B, 2017.

  • John, R.; Berritta, Marco; Hinzke, D.; Mueller, C. et al.

    Magnetisation switching of FePt nanoparticle recording medium by femtosecond laser pulses

    Ingår i Scientific Reports, 2017.

    Open access
  • Chimata, Raghuveer; Delczeg-Czirjak, Erna Krisztina; Szilva, Attila; Cardias, R. et al.

    Magnetism and ultrafast magnetization dynamics of Co and CoMn alloys at finite temperature

    Ingår i Physical review B, 2017.

  • Edström, Alexander

    Magnetocrystalline anisotropy of Laves phase Fe2Ta1-xWx from first principles: Effect of 3d-5d hybridization

    Ingår i Physical Review B, 2017.

  • Albaalbaky, Ahmed; Kvashnin, Yaroslav; Ledue, Denis; Patte, Renaud et al.

    Magnetoelectric properties of multiferroic CuCrO2 studied by means of ab initio calculations and Monte Carlo simulations

    Ingår i Physical Review B, 2017.

  • Stamm, C.; Murer, C.; Berritta, Marco; Feng, J. et al.

    Magneto-Optical Detection of the Spin Hall Effect in Pt and W Thin Films

    Ingår i Physical Review Letters, 2017.

  • Mertins, H-Ch.; Jansing, C.; Gilbert, M.; Krivenkov, M. et al.

    Magneto-optical reflection spectroscopy on graphene/Co in the soft x-ray range

    Ingår i Journal of Physics, Conference Series, 2017.

    Open access
  • Cayao, Jorge; San-Jose, Pablo; Black-Schaffer, Annica M.; Aguado, Ramon et al.

    Majorana splitting from critical currents in Josephson junctions

    Ingår i Physical Review B, 2017.

  • Naqvi, S. Rabab; Hussain, T.; Panigrahi, P.; Luo, Wei et al.

    Manipulating energy storage characteristics of ultrathin boron carbide monolayer under varied scandium doping

    Ingår i RSC Advances, s. 8598-8605, 2017.

    Open access
  • Oppeneer, Peter. M.

    Materials Optics: Lighting Up Antiferromagnets

    Ingår i Nature Photonics, s. 74-76, 2017.

  • Watcharatharapong, Teeraphat; T-Thienprasert, Jiraroj; Barpanda, Prabeer; Ahuja, Rajeev et al.

    Mechanistic study of Na-ion diffusion and small polaron formation in Kröhnkite Na2Fe(SO4)2·2H2O based cathode materials

    Ingår i Journal of Materials Chemistry A, s. 21726-21739, 2017.

  • Borlenghi, Simone; Mahani, M. R.; Fangohr, Hans; Franchin, M. et al.

    Micromagnetic simulations of spin-torque driven magnetization dynamics with spatially resolved spin transport and magnetization texture

    Ingår i Physical Review B, 2017.

  • Fransson, Jonas; Thonig, Danny; Bessarab, P. F.; Bhattacharjee, S. et al.

    Microscopic theory for coupled atomistic magnetization and lattice dynamics

    Ingår i Physical Review Materials, 2017.

  • Triana, Carlos A.; Araujo, C. Moyses; Ahuja, Rajeev; Niklasson, Gunnar A. et al.

    Modeling of Electronic Properties of Amorphous Oxides

    Ingår i Encyclopedia of Interfacial Chemistry, 2017.

  • Ebadi, Mahsa; Costa, Luciano T.; Araujo, C. Moyses; Brandell, Daniel et al.

    Modelling the Polymer Electrolyte/Li-Metal Interface by Molecular Dynamics simulations

    Ingår i Electrochimica Acta, s. 43-51, 2017.

  • Rusz, Ján

    Modified automatic term selection v2: A faster algorithm to calculate inelastic scattering cross-sections

    Ingår i Ultramicroscopy, s. 20-25, 2017.

  • Benhouria, Y.; Essaoudi, I.; Ainane, Abdelmajid; Ahuja, Rajeev et al.

    Monte Carlo simulation of dielectric properties of a mixed spin-3/2 and spin-5/2 Ising ferrielectric nanowires

    Ingår i Ferroelectrics (Print), s. 58-68, 2017.

  • Kuzmanovski, Dushko; Black-Schaffer, Annica M.

    Multiple odd-frequency superconducting states in buckled quantum spin Hall insulators with time-reversal symmetry

    Ingår i Physical Review B, 2017.

  • Dwibedi, Debasmita; Gond, Ritambhara; Dayamani, Allumolu; Araujo, Rafael B. et al.

    Na2.32Co1.84(SO4)(3) as a new member of the alluaudite family of high-voltage sodium battery cathodes

    Ingår i Dalton Transactions, s. 55-63, 2017.

  • Liu, Zeliang; Li, Huijian; Fan, Changzeng; Luo, Wei et al.

    Necessary and sufficient elastic stability conditions in 21 quasicrystal Laue classes

    Ingår i European journal of mechanics. A, Solids, s. 30-39, 2017.

  • Olsson, Anders; Hellsing, Maja S.; Rennie, Adrian R.

    New possibilities using additive manufacturing with materials that are difficult to process and with complex structures

    Ingår i Physica Scripta, 2017.

    Open access
  • Kundu, Ashis; Ghosh, Srikrishna; Banerjee, Rudra; Ghosh, Subhradip et al.

    New quaternary half-metallic ferromagnets with large Curie temperatures

    Ingår i Scientific Reports, 2017.

    Open access
  • Cayao, Jorge; Black-Schaffer, Annica M.

    Odd-frequency superconducting pairing and subgap density of states at the edge of a two-dimensional topological insulator without magnetism

    Ingår i Physical Review B, 2017.

  • Komendova, Lucia; Black-Schaffer, Annica M.

    Odd-Frequency Superconductivity in Sr2RuO4 Measured by Kerr Rotation

    Ingår i Physical Review Letters, 2017.

  • Shalaby, Mostafa; Vicario, Carlo; Giorgianni, Flavio; Donges, Andreas et al.

    Off-resonant magnetization dynamics in Co, Fe and Ni thin films driven by an intense single-cycle THz field

    Ingår i 2017 Conference on Lasers and Electro-Optics (CLEO), 2017.

  • Shalaby, Mostafa; Vicario, Carlo; Donges, Andreas; Carva, Karel et al.

    Off-resonant magnetization dynamics in ferromagnetic thin films initiated by ultrastrong THz field

    Ingår i 2017 Conference on Lasers and Electro-Optics Europe & European Quantum Electronics Conference (CLEO/Europe-EQEC), 2017.

  • Shalaby, Mostafa; Vicario, Carlo; Donges, Andreas; Carva, Karel et al.

    Off-resonant magnetization dynamics in ferromagnetic thin films initiated by ultrastrong THz field

    Ingår i Proceedings - 2017 CONFERENCE ON LASERS AND ELECTRO-OPTICS EUROPE & EUROPEAN QUANTUM ELECTRONICS CONFERENCE (CLEO/EUROPE-EQEC) (Optical Society of America, 2017), 2017.

  • Hinnemo, Malkolm; Zhao, Jie; Ahlberg, Patrik; Hägglund, Carl et al.

    On Monolayer Formation of Pyrenebutyric Acid on Graphene

    Ingår i Langmuir, s. 3588-3593, 2017.

  • Reichel, Ludwig; Edström, Alexander; Pohl, Darius; Rusz, Jan et al.

    On the origin of perpendicular magnetic anisotropy in strained Fe-Co(-X) films

    Ingår i Journal of Physics D, 2017.

  • Boeije, M. F. J.; Delczeg-Czirjak, Erna Krisztina; van Dijk, N. H.; Eriksson, Olle et al.

    On the phase stability of CaCu5-type compounds

    Ingår i Journal of Alloys and Compounds, s. 549-554, 2017.

    Open access
  • Žguns, Pjotrs A.; Ruban, Andrei V.; Skorodumova, Natalia V.

    Ordering and phase separation in Gd-doped ceria: a combined DFT, cluster expansion and Monte Carlo study

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 26606-26620, 2017.

  • Nilsson, Johan O.; Leetmaa, Mikael; Vekilova, Olga Yu.; Simak, Sergei I. et al.

    Oxygen diffusion in ceria doped with rare-earth elements

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 13723-13730, 2017.

  • Sun, Xun; Zhang, Hualei; Lu, Song; Ding, Xiangdong et al.

    Phase selection rule for Al-doped CrMnFeCoNi high-entropy alloys from first-principles

    Ingår i Acta Materialia, s. 366-374, 2017.

  • Li, Chun-Mei; Johansson, Börje; Vitos, Levente

    Physical mechanism of delta-delta '-epsilon phase stability in plutonium

    Ingår i Scientific Reports, 2017.

    Open access
  • De Adhikari, Amrita; Oraon, Ramesh; Tiwari, Santosh Kumar; Jena, Naresh K. et al.

    Polyaniline-Stabilized Intertwined Network-like Ferrocene/Graphene Nanoarchitecture for Supercapacitor Application

    Ingår i Chemistry - An Asian Journal, s. 900-909, 2017.

  • Ghosh, Biplab; Chakraborty, Sudip; Wei, Hao; Guet, Claude et al.

    Poor Photovoltaic Performance of Cs3Bi2I9: An Insight through First-Principles Calculations

    Ingår i The Journal of Physical Chemistry C, s. 17062-17067, 2017.

  • Tian, Fuyang; Varga, Lajos Karoly; Vitos, Levente

    Predicting single phase CrMoWX high entropy alloys from empirical relations in combination with first-principles calculations

    Ingår i Intermetallics (Barking), s. 9-16, 2017.

  • Wang, Peng; Jiang, Xue; Hu, Jun; Huang, Xiaoming et al.

    Prediction of huge magnetic anisotropies in 5d transition metallocenes

    Ingår i Journal of Physics, 2017.

  • Söderlind, P.; Landa, A.; Locht, Inka L. M.; Åberg, D. et al.

    Prediction of the new efficient permanent magnet SmCoNiFe3

    Ingår i Physical Review B, 2017.

  • Bouibes, A.; Zaoui, A.; Luo, Wei; Ahuja, Rajeev et al.

    Promising optical characteristics of zinc peroxide from first-principles investigation

    Ingår i Solid State Communications, s. 6-9, 2017.

  • Sjöqvist, Erik

    Proposed neutron interferometry test of Berry's phase for a circulating planar spin

    Ingår i Physical Review A. Atomic, Molecular, and Optical Physics, 2017.

    Open access
  • Shukla, Vivekanand; Jena, Naresh K.; Grigoriev, Anton; Ahuja, Rajeev et al.

    Prospects of Graphene-hBN Heterostructure Nanogap for DNA Sequencing

    Ingår i ACS Applied Materials and Interfaces, s. 39945-39952, 2017.

  • Mirsakiyeva, Amina; Hugosson, Håkan W.; Crispin, Xavier; Delin, Anna et al.

    Quantum Molecular Dynamical Calculations of PEDOT 12-Oligomer and its Selenium and Tellurium Derivatives

    Ingår i Journal of Electronic Materials, s. 3071-3075, 2017.

    Open access
  • Chakraborty, Sudip; Xie, Wei; Mathews, Niripan; Sherburne, Matthew et al.

    Rational Design: A High-Throughput Computational Screening and Experimental Validation Methodology for Lead-Free and Emergent Hybrid Perovskites

    Ingår i ACS ENERGY LETTERS, s. 837-845, 2017.

  • Polhemsalen, Lägerhyddsvägen 1, Uppsala 2017-10-27 kl 13:15

    Mondal, Ritwik

    Relativistic theory of laser-induced magnetization dynamics

    Open access
  • Mondal, Ritwik; Berritta, Marco; Nandy, Ashis K.; Oppeneer, Peter M. et al.

    Relativistic theory of magnetic inertia in ultrafast spin dynamics

    Ingår i Physical review B: covering condensed matter and materials physics, 2017.

  • Li, Yunguo; Li, Yan-Ling; Sa, Baisheng; Ahuja, Rajeev et al.

    Review of two-dimensional materials for photocatalytic water splitting from a theoretical perspective

    Ingår i Catalysis Science & Technology, s. 545-559, 2017.

  • Qian, Zhao; Guo, Weimin; Jiang, Guanzhong; Xu, Shaokun et al.

    Revisiting Mg-Mg2Ni System from Electronic Perspective

    Ingår i METALS, 2017.

    Open access
  • Xu, Guofu; Zhao, P.Z.; Tong, Dianmin; Sjöqvist, Erik et al.

    Robust paths to realize nonadiabatic holonomic gates

    Ingår i Physical Review A. Atomic, Molecular, and Optical Physics, 2017.

    Open access
  • Kotmool, Komsilp; Chakraborty, Sudip; Bovornratanaraks, Thiti; Ahuja, Rajeev et al.

    Role of relativity in high-pressure phase transitions of thallium

    Ingår i Scientific Reports, 2017.

    Open access
  • Zhao, P.Z.; Cui, Xiao-Dan; Xu, Guofu; Sjöqvist, Erik et al.

    Rydberg-atom-based scheme of nonadiabatic geometric quantum computation

    Ingår i Physical Review A. Atomic, Molecular, and Optical Physics, 2017.

    Open access
  • Nordlund, Michael; Bhandary, Sumanta; Sanyal, Biplab; Almqvist, Nils et al.

    Selective Self-Assembly of Few-Layer Graphene on Piezoelectric Polymer

    2017.

  • Chafai, A.; Dujardin, F.; Essaoudi, I.; Ainane, A. et al.

    Shallow donor inside core/shell spherical nanodot: Effect of nanostructure size and dielectric environment on energy spectrum

    Ingår i Superlattices and Microstructures, s. 976-982, 2017.

  • Mondal, Ritwik; Berritta, Marco; Oppeneer, Peter M.

    Signatures of relativistic spin-light coupling in magneto-optical pump-probe experiments

    Ingår i Journal of Physics, 2017.

  • Zeiger, Paul Michel

    Simulation of High-Angle Annular Dark Field Images of Crystals

    2017.

    Open access
  • Buzzi, Michele; Makita, Mikako; Howald, Ludovic; Kleibert, Armin et al.

    Single-shot Monitoring of Ultrafast Processes via X-ray Streaking at a Free Electron Laser

    Ingår i Scientific Reports, 2017.

    Open access
  • Zhao, P.Z.; Xu, Guofu; Ding, Q.M.; Sjöqvist, Erik et al.

    Single-shot realization of nonadiabatic holonomic quantum gates in decoherence-free subspaces

    Ingår i Physical Review A: covering atomic, molecular, and optical physics and quantum information, 2017.

  • Bouhou, S.; El Hamri, M.; Essaoudi, I.; Ainane, Abdelmajid et al.

    Some hysteresis loop features of 2D magnetic spin-1 Ising nanoparticle: shape lattice and single-ion anisotropy effects

    Ingår i Zhongguó wùli xuékan, s. 2224-2235, 2017.

  • Hofherr, M.; Maldonado, Pablo; Schmitt, O.; Berritta, Marco et al.

    Speed and efficiency of femtosecond spin current injection into a nonmagnetic material

    Ingår i Physical Review B, 2017.

  • Bondarenko, N.; Kvashnin, Y.; Chico, J.; Bergman, A. et al.

    Spin-polaron formation and magnetic state diagram in La-doped CaMnO3

    Ingår i Physical Review B, 2017.

  • Cornils, L.; Kamlapure, A.; Zhou, L.; Pradhan, Saurabh et al.

    Spin-Resolved Spectroscopy of the Yu-Shiba-Rusinov States of Individual Atoms

    Ingår i Physical Review Letters, 2017.

    Open access
  • Ji, Cheng; Goncharov, Alexander F.; Shukla, Vivekanand; Jena, Naresh K. et al.

    Stability of Ar(H2)2 to 358 GPa

    Ingår i Proceedings of the National Academy of Sciences of the United States of America, s. 3596-3600, 2017.

  • Lu, Song; Li, Ruihuan; Kadas, Krisztina; Zhang, Hualei et al.

    Stacking fault energy of C-alloyed steels: The effect of magnetism

    Ingår i Acta Materialia, s. 72-81, 2017.

  • Hou, Ling; Li, Wei-Dong; Wang, Fangwei; Eriksson, Olle et al.

    Structural, electronic, and thermodynamic properties of curium dioxide: Density functional theory calculations

    Ingår i Physical Review B, 2017.

  • Wang, Richard B.; Koerbel, Sabine; Saha, Santanu; Botti, Silvana et al.

    Structure and Optical Properties of Small (TiO2)(n) Nanoparticles, n=21-24

    Ingår i The Journal of Physical Chemistry C, s. 9528-9536, 2017.

  • Jain, Anupriya; Jain, Anita; Panwar, Sanjay; Singh, Rajan et al.

    Studies of hypro-mellose (HPMC) functionalized ZnS:Mn fluorescent quantum dots

    Ingår i Journal of materials science. Materials in electronics, s. 1931-1937, 2017.

  • Shibuya, Taizo; Yasuoka, Kenji; Mirbt, Susanne; Sanyal, Biplab et al.

    Subsurface Polaron Concentration As a Factor in the Chemistry of Reduced TiO2 (110) Surfaces

    Ingår i The Journal of Physical Chemistry C, s. 11325-11334, 2017.

  • Björnson, Kristofer; Balatsky, Alexander V.; Black-Schaffer, Annica M.

    Superconducting order parameter π-phase shift in magnetic impurity wires

    Ingår i Physical Review B, 2017.

  • Walbruhl, Martin; Blomqvist, Andreas; Korzhavyi, Pavel A.; Araujo, Carlos Moyses et al.

    Surface gradients in cemented carbides from first-principles-based multiscale modeling: Atomic diffusion in liquid Co

    Ingår i International journal of refractory metals & hard materials, s. 174-179, 2017.

  • Mirsakiyeva, Amina; Hugosson, Håkan W.; Linares, Mathieu; Delin, Anna et al.

    Temperature dependence of band gaps and conformational disorder in PEDOT and its selenium and tellurium derivatives: Density functional calculations

    Ingår i Journal of Chemical Physics, 2017.

  • Spiegelberg, Jakob; Rusz, Jan; Pelckmans, Kristiaan

    Tensor decompositions for the analysis of atomic resolution electron energy loss spectra

    Ingår i Ultramicroscopy, s. 36-45, 2017.

  • Lee, Jee-Yong; Koo, Yang Mo; Lu, Song; Vitos, Levente et al.

    The behaviour of stacking fault energy upon interstitial alloying

    Ingår i Scientific Reports, 2017.

    Open access
  • Cardias, R.; Szilva, Attila; Bergman, Anders; Di Marco, Igor et al.

    The Bethe-Slater curve revisited; new insights from electronic structure theory

    Ingår i Scientific Reports, 2017.

    Open access
  • Shukla, Vivekanand; Araujo, Rafael Barros Neves de; Jena, Naresh K.; Ahuja, Rajeev et al.

    The Curious Case of Two Dimensional Si2BN: A High-capacity Battery Anode Material

    Ingår i Nano Energy, s. 251-260, 2017.

  • Mooij, Lennard; Huang, Wen; Droulias, Sotirios A.; Johansson, Robert et al.

    The influence of site occupancy on diffusion of hydrogen in vanadium

    Ingår i Physical Review B, 2017.

  • Bengtson, Charlotta; Sjöqvist, Erik

    The role of quantum coherence in dimer and trimer excitation energy transfer

    Ingår i New Journal of Physics, 2017.

    Open access
  • Migas, D. B.; Shaposhnikov, V. L.; Borisenko, V. E.; Skorodumova, Natalia V. et al.

    The Surface Energy and Band Structure of gamma-WO3 Thin Films

    Ingår i Science of Advanced Materials, s. 469-474, 2017.

  • Spiegelberg, Jakob; Rusz, Jan; LEIFER, KLAUS; Thersleff, Thomas et al.

    The usage of data compression for the background estimation of electron energy loss spectra

    Ingår i Ultramicroscopy, s. 117-122, 2017.

  • Long, Debing; Li, Mingkai; Luo, Minghai; Zhu, Jiakun et al.

    Theoretical investigation on thermodynamic properties of ZnO1-Te-x(x) alloys

    Ingår i MATERIALS RESEARCH EXPRESS, 2017.

  • Ång/10132, Häggsalen, Ångströmlaboratoriet, Lägerhyddsvägen 1, Uppsala 2017-02-03 kl 09:15

    Locht, Inka L. M.

    Theoretical methods for the electronic structure and magnetism of strongly correlated materials

    Open access
  • Lüder, Johann; Schött, Johan; Brena, Barbara; Haverkort, Maurits W. et al.

    Theory of L-edge spectroscopy of strongly correlated systems

    Ingår i Physical Review B, 2017.

  • Szilva, Attila; Thonig, Danny; Bessarab, P. F.; Kvashnin, Yaroslav et al.

    Theory of noncollinear interactions beyond Heisenberg exchange: Applications to bcc Fe

    Ingår i Physical Review B, 2017.

  • Maldonado, Pablo; Carva, Karel; Flammer, Martina; Oppeneer, Peter M. et al.

    Theory of out-of-equilibrium ultrafast relaxation dynamics in metals

    Ingår i Physical Review B, 2017.

  • Huang, Shuo; Vida, Ádám; Heczel, Anita; Holmström, Erik et al.

    Thermal Expansion, Elastic and Magnetic Properties of FeCoNiCu-Based High-Entropy Alloys Using First-Principle Theory

    Ingår i JOM, s. 2107-2112, 2017.

    Open access
  • Huang, Shuo; Vida, Adam; Li, Wei; Molnar, David et al.

    Thermal expansion in FeCrCoNiGa high-entropy alloy from theory and experiment

    Ingår i Applied Physics Letters, 2017.

  • Geilhufe, R. Matthias; Bouhon, Adrien; Borysov, Stanislav S.; Balatsky, Alexander V. et al.

    Three-dimensional organic Dirac-line materials due to nonsymmorphic symmetry: A data mining approach

    Ingår i Physical Review B, 2017.

  • Hasan, Mehedi; Yudin, Dmitry; Iorsh, Ivan; Eriksson, Olle et al.

    Topological edge-state engineering with high-frequency electromagnetic radiation

    Ingår i Physical Review B, 2017.

  • Shukla, Vivekanand; Wärnå, John; Jena, Naresh K.; Grigoriev, Anton et al.

    Toward the Realization of 2D Borophene Based Gas Sensor

    Ingår i The Journal of Physical Chemistry C, s. 26869-26876, 2017.

  • Thersleff, Thomas; Muto, Shunsuke; Werwinski, Miroslaw; Spiegelberg, Jakob et al.

    Towards sub-nanometer real-space observation of spin and orbital magnetism at the Fe/MgO interface

    Ingår i Scientific Reports, 2017.

    Open access
  • Hammar, Henning; Fransson, Jonas

    Transient spin dynamics in a single-molecule magnet

    Ingår i Physical Review B, 2017.

  • Hosen, M. Mofazzel; Dimitri, Klauss; Belopolski, Ilya; Maldonado, Pablo et al.

    Tunability of the topological nodal-line semimetal phase in ZrSiX-type materials (X = S, Se, Te)

    Ingår i Physical Review B, 2017.

  • Alwan, Seif

    Tunable Fano Resonance in Double Quantum Dot Systems

    2017.

    Open access
  • Borla, Umberto

    Tuning of Majorana fermions in a π-phase Josephson junction along the edge of quantum spin Hall insulatorPhys. Rev. B 97, 014507 – Published 11 January 2018

    2017.

  • Wenyue, Zhao; Wei, Li; Zhimei, Sun; Shengkai, Gong et al.

    Tuning the plasticity of Ni-Mo solid solution in Ni-based superalloys by ab initio calculations

    Ingår i Materials & design, s. 100-107, 2017.

  • Löthman, Tomas; Black-Schaffer, Annica M.

    Universal phase diagrams with superconducting domes for electronic flat bands

    Ingår i Physical Review B, 2017.

  • Spiegelberg, Jakob; Muto, Shunsuke; Ohtsuka, Masahiro; Pelckmans, Kristiaan et al.

    Unmixing hyperspectral data by using signal subspace sampling

    Ingår i Ultramicroscopy, s. 205-211, 2017.

  • Li, Jibiao; Ahuja, Rajeev

    Unsaturated surface in CO saturation

    Ingår i Surface and Interface Analysis, s. 892-897, 2017.

  • Metsanurk, Erki; Tamm, Artur; Aabloo, A.; Klintenberg, Mattias et al.

    Vacancies at the Cu-Nb semicoherent interface

    Ingår i Modelling and Simulation in Materials Science and Engineering, 2017.

  • Brumboiu, Iulia Emilia; Prokopiou, Georgia; Kronik, Leeor; Brena, Barbara et al.

    Valence electronic structure of cobalt phthalocyanine from an optimally tuned range-separated hybrid functional

    Ingår i Journal of Chemical Physics, 2017.

  • Philippe, Bertrand; Jacobsson, T. Jesper; Correa-Baena, Juan-Pablo; Jena, Naresh K. et al.

    Valence Level Character in a Mixed Perovskite Material and Determination of the Valence Band Maximum from Photoelectron Spectroscopy: Variation with Photon Energy

    Ingår i The Journal of Physical Chemistry C, s. 26655-26666, 2017.

    Open access
  • Singh, Deobrat; Gupta, Sanjeev K.; Sonvane, Yogesh; Kumar, Ashok et al.

    2D-HfS2 as an efficient photocatalyst for water splitting

    Ingår i Catalysis Science & Technology, s. 6605-6614, 2016.

  • Dobrota, Ana S.; Pasti, Igor A.; Mentus, Slavko V.; Skorodumova, Natalia V. et al.

    A general view on the reactivity of the oxygen-functionalized graphene basal plane

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 6580-6586, 2016.

  • Sun, Weiwei; Li, Yunguo; Wang, Baotian; Jiang, Xue et al.

    A new 2D monolayer BiXene, M2C (M = Mo, Tc, Os)

    Ingår i Nanoscale, s. 15753-15762, 2016.

    Open access
  • Arnalds, Unnar B.; Chico, Jonathan; Stopfel, Henry; Kapaklis, Vassilios et al.

    A new look on the two-dimensional Ising model: thermal artificial spins

    Ingår i New Journal of Physics, 2016.

    Open access
  • Koumpouras, Konstantinos; Bergman, Anders; Eriksson, Olle; Yudin, Dmitry et al.

    A spin dynamics approach to solitonics

    Ingår i Scientific Reports, 2016.

    Open access
  • Esteban Puyuelo, Raquel

    A Study of Atomic Diffusion from First Principles Theory

    2016.

    Open access
  • El Hamri, M.; Bouhou, S.; Essaoudi, I.; Ainane, A. et al.

    A theoretical study of the hysteresis behaviors of a transverse spin-1/2 Ising nanocube

    Ingår i Journal of Magnetism and Magnetic Materials, s. 30-38, 2016.

  • Li, Xiaojie; Schonecker, Stephan; Li, Ruihuan; Li, Xiaoqing et al.

    Ab initio calculations of mechanical properties of bcc W-Re-Os random alloys: effects of transmutation of W

    Ingår i Journal of Physics, 2016.

  • Li, Guijiang; Eriksson, Olle; Johansson, Börje; Vitos, Levente et al.

    Ab initio investigation of competing antiferromagnetic structures in low Si-content FeMn(PSi) alloy

    Ingår i Journal of Physics, 2016.

  • Berritta, Marco; Mondal, Ritwik; Carva, Karel; Oppeneer, Peter M. et al.

    Ab Initio Theory of Coherent Laser-Induced Magnetization in Metals

    Ingår i Physical Review Letters, 2016.

  • Rusz, Ján; Idrobo, Juan Carlos

    Aberrated electron probes for magnetic spectroscopy with atomic resolution: Theory and practical aspects

    Ingår i Physical review B, 2016.

  • Yadav, Manoj Kumar; Vovusha, Hakkim; Sanyal, Biplab

    Adsorption and dissociation of dinitrogen on transition metal (Ta, W and Re) doped MgO surface

    Ingår i Computational and Theoretical Chemistry, s. 165-170, 2016.

  • Rao, G. S.; Hussain, Tanveer; Islam, Muhammed Shafiqul; Sagynbaeva, M. et al.

    Adsorption mechanism of graphene-like ZnO monolayer towards CO2 molecules: enhanced CO2 capture

    Ingår i Nanotechnology, 2016.

  • Li, Xiaoqing; Schönecker, Stephan; Zhao, Jijun; Johansson, Börje et al.

    Alloying effect on the ideal tensile strength of ferromagnetic and paramagnetic bcc iron

    Ingår i Journal of Alloys and Compounds, s. 565-574, 2016.

  • Schött, Johan; Locht, Inka L. M.; Lundin, Elin; Grånäs, Oscar et al.

    Analytic continuation by averaging Pade approximants

    Ingår i PHYSICAL REVIEW B, 2016.

  • Wagner, Susanne

    Andreevstates in Josephson junctions

    2016.

    Open access
  • Bekaert, J.; Vercauteren, S.; Aperis, Alex; Komendova, Lucia et al.

    Anisotropic type-I superconductivity and anomalous superfluid density in OsB2

    Ingår i Physical Review B, 2016.

  • Li, Chun-Mei; Yang, Rui; Johansson, Börje; Vitos, Levente et al.

    Anomalous thermodynamic properties and phase stability of delta-Pu1-xMx (M = Ga and Al) alloys from first-principles calculations

    Ingår i Physical Review B, 2016.

  • Autieri, Carmine

    Antiferromagnetic and xy ferro-orbital order in insulating SrRuO3 thin films with SrO termination

    Ingår i Journal of Physics, 2016.

  • Tian, F.; Wang, Y.; Irving, D. L.; Vitos, Levente et al.

    Applications of coherent potential approximation to HEAs

    Ingår i High-Entropy Alloys, s. 299-332, 2016.

  • Nurmi, E.; Wang, G.; Kokko, K.; Vitos, Levente et al.

    Assessing the elastic properties and ductility of Fe-Cr-Al alloys from ab initio calculations

    Ingår i Philosophical Magazine, s. 122-133, 2016.

  • Schonecker, Stephan; Li, Xiaoqing; Johansson, Börje; Vitos, Levente et al.

    Atomic long-range order effects on Curie temperature and adiabatic spin-wave dynamics in strained Fe-Co alloy films

    Ingår i PHYSICAL REVIEW B, 2016.

  • Islam, Muhammed Shafiqul; Hussain, Tanveer; Rao, G. S.; Panigrahi, P. et al.

    Augmenting the sensing aptitude of hydrogenated graphene by crafting with defects and dopants

    Ingår i Sensors and actuators. B, Chemical, s. 317-321, 2016.

  • Marcus, Stålhammar

    Band Structures in Magnon-Phonon Coupled Systems

    2016.

    Open access
  • Sivaraman, Ganesh; Amorim, Rodrigo G.; Scheicher, Ralph H.; Fyta, Maria et al.

    Benchmark investigation of diamondoid-functionalized electrodes for nanopore DNA sequencing

    Ingår i Nanotechnology, 2016.

  • Marcos, Rocio; Xue, Liqin; Sanchez-de-Armas, Rocio; Ahlquist, Marten S. G. et al.

    Bicarbonate Hydrogenation Catalyzed by Iron: How the Choice of Solvent Can Reverse the Reaction

    Ingår i ACS Catalysis, s. 2923-2929, 2016.

  • Amorim, Rodrigo G.; Rocha, Alexandre R.; Scheicher, Ralph H.

    Boosting DNA Recognition Sensitivity of Graphene Nanogaps through Nitrogen Edge Functionalization

    Ingår i The Journal of Physical Chemistry C, s. 19384-19388, 2016.

  • Tian, Fuyang; Varga, Lajos Karoly; Shen, Jiang; Vitos, Levente et al.

    Calculating elastic constants in high-entropy alloys using the coherent potential approximation: Current issues and errors

    Ingår i Computational materials science, s. 350-358, 2016.

  • Banerjee, Hrishit; Chakraborty, Sudip; Saha-Dasgupta, Tanusri

    Cationic Effect on Pressure Driven Spin-State Transition and Cooperativity in Hybrid Perovskites

    Ingår i Chemistry of Materials, s. 8379-8384, 2016.

  • Kislitsyn, Dmitry A.; Mills, Jon M.; Kocevski, Vancho; Chiu, Sheng-Kuei et al.

    Communication: Visualization and spectroscopy of defects induced by dehydrogenation in individual silicon nanocrystals

    Ingår i Journal of Chemical Physics, 2016.

  • Schött, Johan; van Loon, Erik; Locht, Inka L. M.; Katsnelson, Mikhail et al.

    Comparison between methods of analytical continuation for bosonic functions

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2016.

  • Å80101, Ångströmlaboratoriet, Lägerhyddsvägen 1, Uppsala 2016-05-13 kl 09:15

    Lüder, Johann

    Complex Excitations in Advanced Functional Materials

    Open access
  • Dong, Zhihua; Chen, Dengfu; Long, Mujun; Li, Wei et al.

    Computation of Phase Fractions in Austenite Transformation with the Dilation Curve for Various Cooling Regimens in Continuous Casting

    Ingår i Metallurgical and materials transactions. B, process metallurgy and materials processing science, s. 1553-1564, 2016.

  • Sjöqvist, Erik; Azimi Mousolou, Vahid; Canali, Carlo M.

    Conceptual aspects of geometric quantum computation

    Ingår i Quantum Information Processing, s. 3995-4011, 2016.

    Open access
  • Panda, Swarup K.; Di Marco, Igor; Delin, Anna; Eriksson, Olle et al.

    Correlated electronic structure of CeN

    Ingår i Journal of Electron Spectroscopy and Related Phenomena, s. 111-115, 2016.

  • Peters, L.; Di Marco, Igor; Grånäs, Oscar; Sasioglu, E. et al.

    Correlation effects and orbital magnetism of Co clusters

    Ingår i PHYSICAL REVIEW B, 2016.

  • Maldonado, Pablo; Paolasini, L.; Oppeneer, Peter. M.; Forrest, T. R. et al.

    Crystal dynamics and thermal properties of neptunium dioxide

    Ingår i PHYSICAL REVIEW B, 2016.

  • Haldar, Soumyajyoti; Sanyal, Biplab

    Defects in Graphene and its Derivatives

    Ingår i Recent Advances in Graphene Research, s. 215-230, 2016.

  • Xiao, S.; Yoon, Y.; Lee, Y. -H; Bird, J. P. et al.

    Detecting weak coupling in mesoscopic systems with a nonequilibrium Fano resonance

    Ingår i PHYSICAL REVIEW B, 2016.

  • Song, Dongsheng; Rusz, Jan; Cai, Jianwang; Zhu, Jing et al.

    Detection of electron magnetic circular dichroism signals under zone axial diffraction geometry

    Ingår i Ultramicroscopy, s. 44-54, 2016.

  • Thersleff, Thomas; Rusz, Jan; Hjörvarsson, Björgvin; Leifer, Klaus et al.

    Detection of magnetic circular dichroism with subnanometer convergent electron beams

    Ingår i Physical Review B, 2016.

  • Svensson, Pamela

    DFT investigations of the donor-acceptor couple CuPc/C60

    2016.

    Open access
  • Sivaraman, Ganesh; Amorim, Rodrigo G.; Scheicher, Ralph H.; Fyta, Maria et al.

    Diamondoid-functionalized gold nanogaps as sensors for natural, mutated, and epigenetically modified DNA nucleotides

    Ingår i Nanoscale, s. 10105-10112, 2016.

  • Nurmi, E.; Tuuli, E.; Levamaki, H.; Kokko, K. et al.

    Directional Young's modulus of single-crystal and cold-rolled titanium from ab initio calculations: Preferred crystal orientation due to cold rolling

    Ingår i Philosophical Magazine, s. 2736-2751, 2016.

  • Höfner, Susanne; Bladh, S.; Aringer, B.; Ahuja, Rajeev et al.

    Dynamic atmospheres and winds of cool luminous giants I. Al2O3 and silicate dust in the close vicinity of M-type AGB stars

    Ingår i Astronomy and Astrophysics, 2016.

  • Ozaki, N.; Nellis, W. J.; Mashimo, T.; Ramzan, Muhammad et al.

    Dynamic compression of dense oxide (Gd3Ga5O12) from 0.4 to 2.6 TPa: Universal Hugoniot of fluid metals

    Ingår i Scientific Reports, 2016.

    Open access
  • Jacob, Persson

    Dynamics of Coupled Spin and Displacement

    2016.

    Open access
  • Das, Debashish; Ganguly, Shreemoyee; Sanyal, Biplab; Ghosh, Subhradip et al.

    Effect of Fe doping in the structural, electronic and magnetic properties of CoCr2O4: insights from ab initio calculations

    Ingår i MATERIALS RESEARCH EXPRESS, 2016.

  • Li, Ruihuan; Zhang, Pengbo; Li, Xiaojie; Ding, Jianhua et al.

    Effects of Cr and W additions on the stability and migration of He in bcc Fe: A first-principles study

    Ingår i Computational materials science, s. 85-92, 2016.

  • Gonzalez-Moya, Johan R.; Garcia-Basabe, Yunier; Rocco, Maria Luiza M.; Pereira, Marcelo B. et al.

    Effects of the large distribution of CdS quantum dot sizes on the charge transfer interactions into TiO2 nanotubes for photocatalytic hydrogen generation

    Ingår i Nanotechnology, 2016.

  • Seifert, T.; Jaiswal, S.; Martens, U.; Hannegan, J. et al.

    Efficient metallic spintronic emitters of ultrabroadband terahertz radiation

    Ingår i Nature Photonics, s. 483-+, 2016.

  • Edström, Alexander; Lubk, Axel; Rusz, Ján

    Elastic Scattering of Electron Vortex Beams in Magnetic Matter.

    Ingår i Physical Review Letters, 2016.

  • Ebadi, Mahsa; Brandell, Daniel; Araujo, Carlos Moyses

    Electrolyte decomposition on Li-metal surfaces from first-principles theory

    Ingår i Journal of Chemical Physics, 2016.

  • Berggren, Peter; Fransson, Jonas

    Electron Paramagnetic Resonance of Single Magnetic Moment on a Surface

    Ingår i Scientific Reports, 2016.

    Open access
  • Panda, Swarup K.; Di Marco, Igor; Grånäs, Oscar; Eriksson, Olle et al.

    Electronic and magnetic properties of single Fe atoms on a CuN surface: Effects of electron correlations

    Ingår i PHYSICAL REVIEW B, 2016.

  • Panda, Swarup K.; Kvashnin, Yaroslav O.; Sanyal, Biplab; Dasgupta, I. et al.

    Electronic structure and exchange interactions of insulating double perovskite La2CuRuO6

    Ingår i PHYSICAL REVIEW B, 2016.

  • Bocharov, D.; Zguns, Pjotrs; Piskunov, S.; Kuzmin, A. et al.

    Electronic structure of cubic ScF3 from first-principles calculations

    Ingår i Low temperature physics (Woodbury, N.Y., Print), s. 556-560, 2016.

  • Oestlin, A.; Appelt, W. H.; Di Marco, Igor; WeiWei, Sun et al.

    Electronic structure of palladium in the presence of many-body effects

    Ingår i PHYSICAL REVIEW B, 2016.

  • Triana, Carlos; Araujo, Carlos Moyses; Ahuja, Rajeev; Niklasson, Gunnar A. et al.

    Electronic transitions induced by short-range structural order in amorphous TiO2

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2016.

  • Sivaraman, Ganesh; de Souza, Fabio A. L.; Amorim, Rodrigo G.; Scopel, Wanderla L. et al.

    Electronic Transport along Hybrid MoS2 Monolayers

    Ingår i The Journal of Physical Chemistry C, s. 23389-23396, 2016.

  • Tamm, A.; Samolyuk, G.; Correa, A. A.; Klintenberg, Mattias et al.

    Electron-phonon interaction within classical molecular dynamics

    Ingår i PHYSICAL REVIEW B, 2016.

  • Haldar, Soumyajyoti; Amorim, Rodrigo Garcia; Sanyal, Biplab; Scheicher, Ralph.H et al.

    Energetic stability, STM fingerprints and electronic transport properties of defects in graphene and silicene

    Ingår i RSC Advances, s. 6702-6708, 2016.

  • Naqvi, S. Rabab; Possnert, Göran; Primetzhofer, Daniel

    Energy loss of slow Ne ions in Pt and Ag from TOF-MEIS and Monte-Carlo simulations

    Ingår i Nuclear Instruments and Methods in Physics Research Section B, s. 76-80, 2016.

  • Michaud, Jérôme; Cocquet, Pierre-Henri

    Error of an eFDDM: What do matched asymptotic expansions teach us?

    Ingår i Domain Decomposition Methods in Science and Engineering XXII, s. 335-343, 2016.

  • Grånäs, Oscar; Vinichenko, Dmitry; Kaxiras, Efthimios

    Establishing the limits of efficiency of perovskite solar cells from first principles modeling

    Ingår i Scientific Reports, 2016.

    Open access
  • Araujo, Rafael B.; Ahuja, Rajeev

    Evaluating bulk Nb2O2F3 for Li-battery electrode applications

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 3530-3535, 2016.

  • Tian, Li-Yun; Levamaki, Henrik; Ropo, Matti; Kokko, Kalevi et al.

    Exchange-Correlation Catastrophe in Cu-Au: A Challenge for Semilocal Density Functional Approximations

    Ingår i Physical Review Letters, 2016.

  • Thonig, Danny; Rauch, Tomas; Mirhosseini, Hossein; Henk, Juergen et al.

    Existence of topological nontrivial surface states in strained transition metals: W, Ta, Mo, and Nb

    Ingår i Physical Review B, 2016.

  • Mirsakiyeva, Amina; Botkina, Darya; Elgammal, Karim; Ten, Assel et al.

    Experimental and density functional theory studies of some novel piperidine-containing acetylene glycols

    Ingår i ARKIVOC, s. 86-99, 2016.

    Open access
  • Rodrigues, Debora C. M.; Szilva, Attila; Klautau, A. B.; Bergman, Anders et al.

    Finite-temperature interatomic exchange and magnon softening in Fe overlayers on Ir(001)

    Ingår i PHYSICAL REVIEW B, 2016.

  • Chico, Jonathan; Keshavarz, Samara; Kvashnin, Yaroslav; Pereiro, Manuel et al.

    First principles studies of the Gilbert damping and exchange interactions for half-metallic Heuslers alloys

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2016.

  • Debbichi, L.; Kim, H.; Björkman, T.; Eriksson, Olle et al.

    First-principles investigation of two-dimensional trichalcogenide and sesquichalcogenide monolayers

    Ingår i PHYSICAL REVIEW B, 2016.

  • Li, Wei; Lu, Song; Kim, Dongyoo; Kokko, Kalevi et al.

    First-principles prediction of the deformation modes in austenitic Fe-Cr-Ni alloys

    Ingår i Applied Physics Letters, 2016.

  • Zhang, Shang-Zhou; Cui, Hao; Li, Ming-Man; Yu, Hui et al.

    First-principles study of phase stability and elastic properties of binary Ti-xTM (TM = V,Cr,Nb,Mo) and ternary Ti-15TH-yAl alloys

    Ingår i Materials & design, s. 80-89, 2016.

  • Schmidt, Johann; Bouhon, Adrien; Black-Schaffer, Annica M.

    From chiral d-wave to nodal line superconductivity in the harmonic honeycomb lattices

    Ingår i Physical Review B, 2016.

  • Borlenghi, Simone

    Gauge invariance and geometric phase in nonequilibrium thermodynamics

    Ingår i Physical Review E. Statistical, Nonlinear, and Soft Matter Physics, 2016.

  • Pasti, Igor A.; Leetmaa, Mikael; Skorodumova, Natalia V.

    General principles for designing supported catalysts for hydrogen evolution reaction based on conceptual Kinetic Monte Carlo modeling

    Ingår i International journal of hydrogen energy, s. 2526-2538, 2016.

  • Li, Wei; Lu, Song; Hu, Qing-Miao; Johansson, Börje et al.

    Generalized stacking fault energy of gamma-Fe

    Ingår i Philosophical Magazine, s. 524-541, 2016.

  • Henighan, T.; Trigo, M.; Bonetti, S.; Granitzka, P. et al.

    Generation mechanism of terahertz coherent acoustic phonons in Fe

    Ingår i PHYSICAL REVIEW B, 2016.

  • Fan, T.; Grychtol, P.; Knut, R.; Hernandez-Garcia, C. et al.

    Generation of Bright Soft X-ray Harmonics with Circular Polarization for X-ray Magnetic Circular Dichroism

    Ingår i 2016 Conference On Lasers And Electro-Optics (CLEO), 2016.

  • Segerkvist, Anton

    Geometrical and Electronic Structure Characterization of Conducting Hydroquinone Substituted Polypyrrole

    2016.

    Open access
  • Banerjee, S.; Fransson, Jonas; Black-Schaffer, Annica M.; Ågren, H. et al.

    Granular superconductor in a honeycomb lattice as a realization of bosonic Dirac material

    Ingår i PHYSICAL REVIEW B, 2016.

  • Panda, Swarup K.; Pal, Banabir; Mandal, Suman; Gorgoi, Mihaela et al.

    High photon energy spectroscopy of NiO: Experiment and theory

    Ingår i PHYSICAL REVIEW B, 2016.

  • Anversa, Jonas; Chakraborty, Sudip; Piquini, Paulo; Ahuja, Rajeev et al.

    High pressure driven superconducting critical temperature tuning in Sb2Se3 topological insulator

    Ingår i Applied Physics Letters, 2016.

  • Lindström, A.; Mirbt, Susanne; Sanyal, Biplab; Klintenberg, Mattias et al.

    High resistivity in undoped CdTe: carrier compensation of Te antisites and Cd vacancies

    Ingår i Journal of Physics D, 2016.

  • Roca Vich, Isabel

    How the ground state in a material will be affected by the spin-phonon interactions between nuclei in diatomic molecular structures

    2016.

    Open access
  • Nedumkandathil, Reji; Kranak, Verina F.; Johansson, Robert; Ångström, Jonas et al.

    Hydrogenation induced structure and property changes in GdGa

    Ingår i Journal of Solid State Chemistry, s. 184-191, 2016.

  • Ångström, Jonas; Johansson, Robert; Sarkar, Tapati; Sorby, Magnus H. et al.

    Hydrogenation-Induced Structure and Property Changes in the Rare-Earth Metal Gallide NdGa: Evolution of a [GaH](2-) Polyanion Containing Peierls-like Ga-H Chains

    Ingår i Inorganic Chemistry, s. 345-352, 2016.

  • Benhouria, Y.; Essaoudi, I.; Ainane, Abdelmajid; Ahuja, Rajeev et al.

    Hysteresis loops and dielectric properties of compositionally graded (Ba,Sr)TiO3 thin films described by the transverse Ising model

    Ingår i Zhongguó wùli xuékan, s. 533-544, 2016.

  • Stoller, R. E.; Tamm, A.; Beland, L. K.; Samolyuk, G. D. et al.

    Impact of Short-Range Forces on Defect Production from High Energy Collisions

    Ingår i Journal of Chemical Theory and Computation, s. 2871-2879, 2016.

  • Polhemsalen Ång/10134, Ångströmlaboratoriet, Lägerhyddsvägen 1, Uppsala 2016-11-11 kl 10:15

    Haldar, Soumyajyoti

    Influence of defects and impurities on the properties of 2D materials

    Open access
  • Brumboiu, Iulia Emilia; Haldar, Soumyajyoti; Luder, Johann; Eriksson, Olle et al.

    Influence of Electron Correlation on the Electronic Structure and Magnetism of Transition-Metal Phthalocyanines

    Ingår i Journal of Chemical Theory and Computation, s. 1772-1785, 2016.

  • Löfgren, André; Zeiger, Paul; Kocevski, Vancho; Rusz, Ján et al.

    Influence of nuclear quantum effects on frozen phonon simulations of electron vortex beam HAADF-STEM images.

    Ingår i Ultramicroscopy, s. 62-69, 2016.

  • Bouhou, S.; Essaoudi, I.; Ainane, A.; Ahuja, Rajeev et al.

    Investigation of a core/shell Ising nanoparticle: Thermal and magnetic properties

    Ingår i Physica. B, Condensed matter, s. 124-132, 2016.

    Open access
  • Nilsson, Johan O.; Vekilova, Olga Yu; Hellman, Olle; Klarbring, Johan et al.

    Ionic conductivity in Gd-doped CeO2: Ab initio color-diffusion nonequilibrium molecular dynamics study

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2016.

  • Klarbring, Johan; Vekilova, Olga Yu.; Nilsson, Johan O.; Skorodumova, Natalia V. et al.

    Ionic conductivity in Sm-doped ceria from first-principles non-equilibrium molecular dynamics

    Ingår i Solid State Ionics, s. 47-53, 2016.

  • Dwibedi, Debasmita; Ling, Chris D.; Araujo, Rafael B.; Chakraborty, Sudip et al.

    Ionothermal Synthesis of High-Voltage Alluaudite Na2+2xFe2-x(SO4)(3) Sodium Insertion Compound: Structural, Electronic, and Magnetic Insights

    Ingår i ACS Applied Materials and Interfaces, s. 6982-6991, 2016.

  • Mancarella, Francesco; Fransson, Jonas; Balatsky, Alexander

    Josephson coupling between superconducting islands on single- and bi-layer graphene

    Ingår i Superconductors Science and Technology, 2016.

  • Gabro, David

    Lithiated organic electrode material: Theoretical characterization of structure and electronic band structure

    2016.

    Open access
  • Dussaux, A.; Shoenherr, P; Koumpouras, Konstantinos; Chico, Jonathan et al.

    Local dynamics of topological magnetic defects in the itinerant helimagnet FeGe.

    Ingår i Nature Communications, 2016.

    Open access
  • Butorin, Sergei M.; Modin, Anders; Vegelius, Johan R.; Suzuki, Michi-To et al.

    Local Symmetry Effects in Actinide 4f X-ray Absorption in Oxides

    Ingår i Analytical Chemistry, s. 4169-4173, 2016.

  • Mashkoori, Mahdi; Mahyaeh, Iman; Jafari, Seyed Akbar

    Localized Magnetic States in Three Dimensional Dirac Solids

    Ingår i Journal of the Physical Society of Japan, 2016.

  • Cedervall, Johan; Beran, Premysl; Vennström, Marie; Danielsson, Therese et al.

    Low temperature magneto-structural transitions in Mn3Ni20P6

    Ingår i Journal of Solid State Chemistry, s. 343-348, 2016.

  • Cardias, R.; Bezerra-Neto, M. M.; Ribeiro, M. S.; Bergman, Anders et al.

    Magnetic and electronic structure of Mn nanostructures on Ag(111) and Au(111)

    Ingår i PHYSICAL REVIEW B, 2016.

  • Edström, Alexander; Lubk, Axel; Rusz, Jan

    Magnetic Effects in the Paraxial Regime of Elastic Electron Scattering

    Ingår i Physical review B: covering condensed matter and materials physics, 2016.

  • Rusz, Ján; Muto, Shunsuke; Spiegelberg, Jakob; Adam, Roman et al.

    Magnetic measurements with atomic-plane resolution

    Ingår i Nature Communications, 2016.

    Open access
  • El Hamri, M.; Bouhou, S.; Essaoudi, I.; Ainane, Abdelmajid et al.

    Magnetic properties of a diluted spin-1/2 Ising nanocube

    Ingår i Physica A, s. 385-398, 2016.

  • Werwinski, Miroslaw; Kontos, Sofia; Gunnarsson, Klas; Svedlindh, Peter et al.

    Magnetic properties of Fe5SiB2 and its alloys with P, S, and Co

    Ingår i PHYSICAL REVIEW B, 2016.

  • Schneider, Sebastian; Pohl, Darius; Loeffler, Stefan; Rusz, Jan et al.

    Magnetic properties of single nanomagnets: Electron energy-loss magnetic chiral dichroism on FePt nanoparticles

    Ingår i Ultramicroscopy, s. 186-194, 2016.

  • Cedervall, Johan; Andersson, Mikael Svante; Sarkar, Tapati; Delczeg-Czirjak, Erna K. et al.

    Magnetic structure of the magnetocaloric compound AlFe2B2

    Ingår i Journal of Alloys and Compounds, s. 784-791, 2016.

  • Peters, Lars; Ghosh, Saurabh; Sanyal, Biplab; van Dijk, Chris et al.

    Magnetism and exchange interaction of small rare-earth clusters: Tb as a representative

    Ingår i Scientific Reports, 2016.

    Open access
  • Sieghbahnsalen, Ångströms laboratoriet Lägerhyddsvägen 1, Uppsala 2016-06-14 kl 10:15

    Chico Carpio, Jonathan Philippe

    Magnetization dynamics on the nanoscale: From first principles to atomistic spin dynamics

    Open access
  • Stangel, Anders

    Magnetocrystalline Anisotropy in(FexNi1-x)2B Materials

    2016.

    Open access
  • Fransson, Jonas; Black-Schaffer, Annica M.; Balatsky, A. V.

    Magnon Dirac materials

    Ingår i PHYSICAL REVIEW B, 2016.

  • Björnson, Kristofer; Black-Schaffer, Annica M.

    Majorana fermions at odd junctions in a wire network of ferromagnetic impurities

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2016.

  • Lüder, Johann; Puglia, Carla; Ottosson, Henrik; Eriksson, Olle et al.

    Many-body effects and excitonic features in 2D biphenylene carbon

    Ingår i Journal of Chemical Physics, 2016.

  • Kislitsyn, Dmitry A; Kocevski, Vancho; Mills, Jon M; Chiu, Sheng-Kuei et al.

    Mapping of Defects in Individual Silicon Nanocrystals Using Real-Space Spectroscopy.

    Ingår i Journal of Physical Chemistry Letters, s. 1047-1054, 2016.

    Open access
  • Huang, Shuo; Li, Wei; Li, Xiaoqing; Schonecker, Stephan et al.

    Mechanism of magnetic transition in FeCrCoNi-based high entropy alloys

    Ingår i Materials & design, s. 71-74, 2016.

  • Å80127, Ångströmlaboratoriet, Lägerhyddsvägen 1, Uppsala 2016-09-28 kl 09:15

    Johansson, Robert

    Metal Hydrogen Interaction and Structural Characterization of Amorphous Materials from first principles

    Open access
  • Papadakis, Raffaello; Li, Hu; Bergman, Joakim; Lundstedt, Anna et al.

    Metal-free photochemical silylations and transfer hydrogenations of benzenoid hydrocarbons and graphene

    Ingår i Nature Communications, 2016.

    Open access
  • Kvashnin, Yaroslav O.; Cardias, R.; Szilva, Attila; Di Marco, Igor et al.

    Microscopic Origin of Heisenberg and Non-Heisenberg Exchange Interactions in Ferromagnetic bcc Fe

    Ingår i Physical Review Letters, 2016.

  • Sandels, Claes; Brodén, Daniel; Widén, Joakim; Nordström, Lars et al.

    Modeling office building consumer load with a combined physical and behavioral approach: Simulation and validation

    Ingår i Applied Energy, s. 472-485, 2016.

  • Araujo, Rafael B.; Chakraborty, Sudip; Barpanda, Prabeer; Ahuja, Rajeev et al.

    Na2M2(SO4)(3) (M = Fe, Mn, Co and Ni): towards high-voltage sodium battery applications

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 9658-9665, 2016.

  • Borlenghi, Simone; Mahani, M. R.; Delin, Anna; Fransson, Jonas et al.

    Nanoscale control of heat and spin conduction in artificial spin chains

    Ingår i Physical Review B, 2016.

  • de Souza, Fabio A. L.; Amorim, Rodrigo G.; Scopel, Wanderla L.; Scheicher, Ralph H. et al.

    Nano-structured interface of graphene and h-BN for sensing applications

    Ingår i Nanotechnology, 2016.

  • Callini, Elsa; Aguey-Zinsou, Kondo-Francois; Ahuja, Rajeev; Ramon Ares, Jose et al.

    Nanostructured materials for solid-state hydrogen storage: A review of the achievement of COST Action MP1103

    Ingår i International journal of hydrogen energy, s. 14404-14428, 2016.

  • Paillard, Charles; Mondal, Ritwik; Berritta, Marco; Dkhil, Brahim et al.

    New relativistic Hamiltonian: the Angular MagnetoElectric coupling

    Ingår i Spintronics IX, 2016.

  • Neupane, Madhab; Belopolski, Ilya; Hosen, M. Mofazzel; Sanchez, Daniel S. et al.

    Observation of topological nodal fermion semimetal phase in ZrSiS

    Ingår i PHYSICAL REVIEW B, 2016.

  • Gruenebohm, A.; Herper, Heike C.; Entel, P.

    On the rich magnetic phase diagram of (Ni, Co)-Mn-Sn Heusler alloys

    Ingår i Journal of Physics D, 2016.

  • Uusitaloa, R. -R; Lahtia, A.; Levämäki, H.; Punkkinen, M. P. J. et al.

    Order-disorder transition of Pd0.5Ag0.5 alloys

    Ingår i Philosophical Magazine, s. 3697-3710, 2016.

  • Nag, Abhishek; Middey, S.; Bhowal, Sayantika; Panda, Swarup K. et al.

    Origin of the Spin-Orbital Liquid State in a Nearly J=0 Iridate Ba3ZnIr2O9

    Ingår i Physical Review Letters, 2016.

  • El Hamri, M.; Bouhou, S.; Essaoudi, I.; Ainane, Abdelmajid et al.

    Phase diagrams of a transverse cubic nanowire with diluted surface shell

    Ingår i Applied Physics A, 2016.

  • Ivanov, Sergey A; Bush, Alexander A; Stash, Adam I; Kamentsev, Konstantin E et al.

    Polar Order and Frustrated Antiferromagnetism in Perovskite Pb2MnWO6 Single Crystals.

    Ingår i Inorganic Chemistry, s. 2791-2805, 2016.

  • Dhara, Barun; Tarafder, Kartick; Jha, Plawan K.; Panja, Soumendra N. et al.

    Possible Room-Temperature Ferromagnetism in Self-Assembled Ensembles of Paramagnetic and Diamagnetic Molecular Semiconductors

    Ingår i Journal of Physical Chemistry Letters, s. 4988-4995, 2016.

  • Araujo, Rafael B.; Islam, Muhammed Shafiqul; Chakraborty, Sudip; Ahuja, R. et al.

    Predicting electrochemical properties and ionic diffusion in Na2+2xMn2-x(SO4)(3): crafting a promising high voltage cathode material

    Ingår i Journal of Materials Chemistry A, s. 451-457, 2016.

  • Kuzmanovski, Dushko; Linder, Jacob; Black-Schaffer, Annica

    Quantum ground state control in superconductor-silicene structures: 0-pi transitions, phi(0)-junctions, and Majorana bound states

    Ingår i Physical Review B, 2016.

  • Mahabal, Manasi S.; Deshpande, Mrinalini D.; Chakraborty, Sudip; Kang, Tae Won et al.

    Rare earth functionalization effect in optical response of ZnO nano clusters

    Ingår i European Physical Journal D, 2016.

  • Rupp, Caroline J.; Chakraborty, Sudip; Anversa, Jonas; Baierle, Rogerio J. et al.

    Rationalizing the Hydrogen and Oxygen Evolution Reaction Activity of Two-Dimensional Hydrogenated Silicene and Germanene

    Ingår i ACS Applied Materials and Interfaces, s. 1536-1544, 2016.

  • Kolesov, Grigory; Grånäs, Oscar; Hoyt, Robert; Vinichenko, Dmitry et al.

    Real-Time TD-DFT with Classical Ion Dynamics: Methodology and Applications

    Ingår i Journal of Chemical Theory and Computation, s. 466-476, 2016.

  • Autieri, Carmine; Kumar, P. Anil; Walecki, Dirk; Webers, Samira et al.

    Recipe for High Moment Materials with Rare-earth and 3d Transition Metal Composites

    Ingår i Scientific Reports, 2016.

    Open access
  • Mondal, Ritwik; Berritta, Marco; Oppeneer, Peter M.

    Relativistic theory of spin relaxation mechanisms in the Landau-Lifshitz-Gilbert equation of spin dynamics

    Ingår i Physical Review B, 2016.

  • Lejaeghere, Kurt; Bihlmayer, Gustav; Björkman, Torbjörn; Blaha, Peter et al.

    Reproducibility in density functional theory calculations of solids.

    Ingår i Science, s. 1415-1422, 2016.

  • Shi, H.; Hussain, T.; Ahuja, Rajeev; Kang, T. W. et al.

    Role of vacancies, light elements and rare-earth metals doping in CeO2

    Ingår i Scientific Reports, 2016.

    Open access
  • He, Yuhui; Tsutsui, Makusu; Scheicher, Ralph H.; Miao, Xiang Shui et al.

    Salt-Gradient Approach for Regulating Capture-to-Translocation Dynamics of DNA with Nanochannel Sensors

    Ingår i ACS SENSORS, s. 807-816, 2016.

  • Poluektov, Mikhail; Eriksson, Olle; Kreiss, Gunilla

    Scale transitions in magnetisation dynamics

    Ingår i Communications in Computational Physics, s. 969-988, 2016.

  • Nordlund, Michael; Bhandary, Sumanta; Sanyal, Biplab; Almqvist, Nils et al.

    Self-assembly of few-layer graphene on polymer substrates

    2016.

  • Herterich, Emmi

    Sequential Holonomic Quantum Gates: Open Path Holonomy in Λ-configuration

    2016.

    Open access
  • Nordlund, Michael; Bhandary, Sumanta; Sanyal, Biplab; Almqvist, Nils et al.

    Side-selective self-assembly of graphene and FLG on piezoelectric PVDF from suspension

    Ingår i Journal of Physics D, 2016.

    Open access
  • Herterich, Emmi; Sjöqvist, Erik

    Single-loop multiple-pulse nonadiabatic holonomic quantum gates

    Ingår i Physical Review A. Atomic, Molecular, and Optical Physics, 2016.

  • Li, Hu; Daukiya, Lakshya; Haldar, Soumyajyoti; Lindblad, Andreas et al.

    Site-selective local fluorination of graphene induced by focused ion beam irradiation

    Ingår i Scientific Reports, 2016.

    Open access
  • Wollter, August

    Small Polarons In Cadmium Sulphide: A First Principles Study

    2016.

    Open access
  • Aslibeiki, B.; Kameli, P.; Ehsani, M. H.; Salamati, H. et al.

    Solvothermal synthesis of MnFe2O4 nanoparticles: The role of polymer coating on morphology and magnetic properties

    Ingår i Journal of Magnetism and Magnetic Materials, s. 236-244, 2016.

  • El Hamri, M.; Bouhou, S.; Essaoudi, I.; Ainane, Abdelmajid et al.

    Some characteristic behaviours of a spin-1/2 Ising nanoparticle

    Ingår i 3Rd Euro-Mediterranean Conference On Materials And Renewable Energies (Emcmre-3), 2016.

  • Bergman, Anders; Hellsvik, Johan; Bessarab, Pavel F.; Delin, Anna et al.

    Spin relaxation signature of colossal magnetic anisotropy in platinum atomic chains

    Ingår i Scientific Reports, 2016.

    Open access
  • Azimi Mousolou, Vahid; Canali, Carlo M.; Sjöqvist, Erik

    Spin-electric Berry phase shift in triangular molecular magnets

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2016.

    Open access
  • Dobrota, Ana S.; Gutic, Sanjin; Kalijadis, Ana; Baljozovic, Milos et al.

    Stabilization of alkali metal ions interaction with OH-functionalized graphene via clustering of OH groups - implications in charge storage applications

    Ingår i RSC Advances, s. 57910-57919, 2016.

  • Östlin, A.; Di Marco, Igor; Locht, Inka L. M.; Lashley, J. C. et al.

    Stacking fault energetics of alpha- and gamma-cerium investigated with ab initio calculations

    Ingår i PHYSICAL REVIEW B, 2016.

  • Li, Ruihuan; Lu, Song; Kim, Dongyoo; Schonecker, Stephan et al.

    Stacking fault energy of face-centered cubic metals: thermodynamic and ab initio approaches

    Ingår i Journal of Physics, 2016.

  • Locht, Inka L. M.; Kvashnin, Yaroslav O.; Rodrigues, Debora C. M.; Pereiro, Manuel et al.

    Standard model of the rare earths analyzed from the Hubbard I approximation

    Ingår i PHYSICAL REVIEW B, 2016.

  • Mir, Showkat H.; Jha, Prakash C.; Islam, Muhammed Shafiqul; Banarjee, Amitava et al.

    Static and Dynamical Properties of heavy actinide Monopnictides of Lutetium

    Ingår i Scientific Reports, 2016.

    Open access
  • Nilsson, Johan O.; Leetmaa, Mikael; Vekilova, Olga Yu.; Simak, Sergei I. et al.

    Statistical error in simulations of Poisson processes: Example of diffusion in solids

    Ingår i Physical Review B, 2016.

  • Turgut, Emrah; Zusin, Dmitriy; Legut, Dominik; Carva, Karel et al.

    Stoner versus Heisenberg: Ultrafast exchange reduction and magnon generation during laser-induced demagnetization

    Ingår i PHYSICAL REVIEW B, 2016.

  • Pasti, Igor A.; Skorodumova, Natalia V.

    Structural, electronic, magnetic and chemical properties of B-, C- and N-doped MgO(001) surfaces

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 426-435, 2016.

    Open access
  • Torchio, R.; Marini, C.; Kvashnin, Yaroslav O.; Kantor, I. et al.

    Structure and magnetism of cobalt at high pressure and low temperature

    Ingår i PHYSICAL REVIEW B, 2016.

  • Cardoch, Sebastian

    Studying Atomic Vibrations by Transmission Electron Microscopy

    2016.

    Open access
  • Renault, Stéven; Oltean, Viorica Alina; Araujo, C. Moyses; Grigoriev, Anton et al.

    Superlithiation of Organic Electrode Materials: The Case of Dilithium Benzenedipropiolate

    Ingår i Chemistry of Materials, s. 1920 1920-1926 1926, 2016.

  • Minakshi, Manickam; Mitchell, David; Jones, Rob; Alenazey, Feraih et al.

    Synthesis, structural and electrochemical properties of sodium nickel phosphate for energy storage devices

    Ingår i Nanoscale, s. 11291-11305, 2016.

  • Pan, Fan; Chico, Jonathan; Hellsvik, Johan; Delin, Anna et al.

    Systematic study of magnetodynamic properties at finite temperatures in doped permalloy from first-principles calculations

    Ingår i Physical Review B, 2016.

  • Häggsalen, Ångströmlaboratoriet, Lägerhyddsvägen 1, Uppsala 2016-11-25 kl 13:15

    Edström, Alexander

    Theoretical and Computational Studies on the Physics of Applied Magnetism: Magnetocrystalline Anisotropy of Transition Metal Magnets and Magnetic Effects in Elastic Electron Scattering

    Open access
  • Hammar, Henning; Fransson, Jonas

    Time-dependent spin and transport properties of a single-molecule magnet in a tunnel junction

    Ingår i Physical Review B, 2016.

  • Häggsalen, Ångströmslaboratoriet, Lägerhyddsvägen 1, Uppsala 2016-12-09 kl 13:15

    Björnson, Kristofer

    Topological band theory and Majorana fermions: With focus on self-consistent lattice models

    Open access
  • Smith, Anderson D.; Elgammal, Karim; Fan, Xuge; Lemme, Max et al.

    Toward Effective Passivation of Graphene to Humidity Sensing Effects

    Ingår i 2016 46Th European Solid-State Device Research Conference (ESSDERC), s. 299-302, 2016.

  • Kim, Dongyoo; Vitos, Levente

    Tuned Magnetic Properties of L1(0)-MnGa/Co(001) Films by Epitaxial Strain

    Ingår i Scientific Reports, 2016.

  • Mir, Showkat H.; Chakraborty, Sudip; Jha, Prakash C.; Wärnå, John et al.

    Two-dimensional boron: Lightest catalyst for hydrogen and oxygen evolution reaction

    Ingår i Applied Physics Letters, 2016.

  • Schoen, Martin A. W.; Thonig, Danny; Schneider, Michael L.; Silva, T. J. et al.

    Ultra-low magnetic damping of a metallic ferromagnet

    Ingår i Nature Physics, s. 839-842, 2016.

  • Li, Yuhan; Sun, Weiwei; Liang, Jing; Sun, Hao et al.

    Understanding the electrochemical properties of A(2)MSiO(4) (A = Li and Na; M = Fe, Mn, Co and Ni) and the Na doping effect on Li2MSiO4 from first-principles calculations

    Ingår i Journal of Materials Chemistry A, s. 17455-17463, 2016.

  • Banerjee, Amitava; Araujo, Rafael B.; Ahuja, Rajeev

    Unveiling the thermodynamic and kinetic properties of NaxFe(SO4)2 (x = 0–2): toward a high-capacity and low-cost cathode material

    Ingår i Journal of Materials Chemistry A, s. 17960-17969, 2016.

    Open access
  • Rusz, Jan; Idrobo, Juan-Carlos; Wrang, Linus

    Vorticity in electron beams: definition, properties, and its relationship with magnetism

    Ingår i Physical Review B, 2016.

  • Bidermane, Ieva; Lüder, Johann; Ahmadi, S.; Grazioli, C. et al.

    When the Grafting of Double Decker Phthalocyanines on Si(100)-2 × 1 Partly Affects the Molecular Electronic Structure

    Ingår i The Journal of Physical Chemistry C, s. 14270-14276, 2016.

    Open access
  • Jansing, C.; Mertins, H. -Ch.; Gilbert, M.; Wahab, H. et al.

    X-ray natural birefringence in reflection from graphene

    Ingår i PHYSICAL REVIEW B, 2016.

  • Modin, Anders; Suzuki, M-T; Vegelius, Johan; Yun, Y. et al.

    5 f-Shell correlation effects in dioxides of light actinides studied by O 1s x-ray absorption and emission spectroscopies and first-principles calculations

    Ingår i Journal of Physics, 2015.

  • Spiegelberg, Jakob; Rusz, Jan

    A multislice theory of electron scattering in crystals including backscattering and inelastic effects

    Ingår i Ultramicroscopy, s. 11-18, 2015.

  • Kaewmaraya, Thanayut; Luo, Wei; Yang, Xiao; Panigrahi, Puspamitra et al.

    A new, layered monoclinic phase of Co3O4 at high pressure

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 19957-19961, 2015.

  • Zhang, Hualei; Lu, Song; Zhou, Minna; Punkkinen, Marko P. J. et al.

    Ab initio determination of the elastic properties of ferromagnetic body-centered cubic Fe-Mn-Al alloys

    Ingår i Journal of Applied Physics, 2015.

  • Mondal, Ritwik; Berritta, Marco; Carva, Karel; Oppeneer, Peter M. et al.

    Ab initio investigation of light-induced relativistic spin-flip effects in magneto-optics

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Wang, Guisheng; Schonecker, Stephan; Hertzman, Staffan; Hu, Qing-Miao et al.

    Ab initio prediction of the mechanical properties of alloys: The case of Ni/Mn-doped ferromagnetic Fe

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • room 10132, Ångströmslaboratoriet, Lägerhyddsvägen 1, Uppsala 2015-04-17 kl 10:00

    Jakobsson, Adam

    Ab initio Studies on Exchange Interactions in Metals and Correlated Oxides

    Open access
  • Cao, Peiyu; Ni, Xiaodong; Tian, Fuyang; Varga, Lajos K. et al.

    Ab initio study of AlxMoNbTiV high-entropy alloys

    Ingår i Journal of Physics, 2015.

  • Aperis, Alex; Maldonado, Pablo; Oppeneer, Peter M.

    Ab initio theory of magnetic-field-induced odd-frequency two-band superconductivity in MgB2

    Ingår i Physical Review B Condensed Matter, 2015.

  • Li, Xiaoqing; Tian, Fuyang; Schonecker, Stephan; Zhao, Jijun et al.

    Ab initio-predicted micro-mechanical performance of refractory high-entropy alloys

    Ingår i Scientific Reports, 2015.

    Open access
  • Pasti, Igor A.; Baljozovic, Milos; Skorodumova, Natalia V.

    Adsorption of nonmetallic elements on defect-free MgO(001) surface - DFT study

    Ingår i Surface Science, s. 39-49, 2015.

  • Vovusha, Hakkim; Sanyal, Biplab

    Adsorption of nucleobases on 2D transition-metal dichalcogenides and graphene sheet: a first principles density functional theory study

    Ingår i RSC Advances, s. 67427-67434, 2015.

  • Chimata, Raghuveer; Isaeva, Leyla; Kadas, Krisztina; Bergman, Anders et al.

    All-thermal switching of amorphous Gd-Fe alloys: Analysis of structural properties and magnetization dynamics

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Levamaki, H.; Nagy, A.; Kokko, K.; Vitos, Levente et al.

    Alternative to the Kohn-Sham equations: The Pauli potential differential equation

    Ingår i Physical Review A. Atomic, Molecular, and Optical Physics, 2015.

  • Å80101, Ångströmlaboratoriet, Lägerhyddsvägen 1, Uppsala 2015-10-09 kl 09:00

    Isaeva, Leyla

    Amorphous and crystalline functional materials from first principles

    Open access
  • Isaeva, Leyla; Sundberg, Jill; Mukherjee, Soham; Pelliccione, Christopher J. et al.

    Amorphous W-S-N thin films: The atomic structure behind ultra-low friction

    Ingår i Acta Materialia, s. 84-93, 2015.

  • Isaeva, Leyla; Sundberg, Jill; Mukherjee, Soham; Pelliccione, Christopher J. et al.

    Amorphous W-S-N thin films: the atomic structure behind ultra-low friction

    Ingår i Acta Materialia, s. 84-93, 2015.

  • Bylin, Johan

    Analysis of a spin-particle tunnelling junction

    2015.

    Open access
  • Osorio-Guillen, J. M.; Espinosa-Garcia, W. F.; Araujo, C. Moyses

    Assessing photocatalytic power of g-C3N4 for solar fuel production: A first-principles study involving quasi-particle theory and dispersive forces

    Ingår i Journal of Chemical Physics, 2015.

  • Bidermane, Ieva; Brumboiu, Iulia; Totani, Roberta; Grazioli, Cesare et al.

    Atomic Contributions to the Valence Band Photoelectron Spectra of Metal-free, Iron and Manganese Phthalocyanines

    Ingår i Journal of Electron Spectroscopy and Related Phenomena, s. 92-97, 2015.

  • Tamm, Artur; Aabloo, Alvo; Klintenberg, Mattias; Stocks, Malcolm et al.

    Atomic-scale properties of Ni-based FCC ternary, and quaternary alloys

    Ingår i Acta Materialia, s. 307-312, 2015.

  • Etz, Corina; Bergqvist, Lars; Bergman, Anders; Taroni, Andrea et al.

    Atomistic spin dynamics and surface magnons

    Ingår i Journal of Physics, 2015.

  • Kocevski, Vancho; Eriksson, Olle; Rusz, Jan

    Band alignment switching and the interaction between neighbouring silicon nanocrystals embedded in a SiC matrix

    Ingår i Physical Review B. Condensed Matter and Materials Physics, s. 165429-165435, 2015.

  • Hussain, Tanveer; Chakraborty, Sudip; Kang, T. W.; Johansson, Borje et al.

    BC3 Sheet Functionalized with Lithium-Rich Species Emerging as a Reversible Hydrogen Storage Material

    Ingår i ChemPhysChem, s. 634-639, 2015.

  • Pasti, Igor A.; Baljozovic, Milos R.; Granda-Marulanda, Laura P.; Skorodumova, Natalia V. et al.

    Bimetallic dimers adsorbed on a defect-free MgO(001) surface: bonding, structure and reactivity

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 9666-9679, 2015.

  • Choudhuri, Indrani; Patra, Nandini; Mahata, Arup; Ahuja, Rajeev et al.

    B-N@Graphene: Highly Sensitive and Selective Gas Sensor

    Ingår i The Journal of Physical Chemistry C, s. 24827-24836, 2015.

  • Fan, Tingting; Grychtol, Patrik; Knut, Ronny; Hernandez-Garcia, Carlos et al.

    Bright circularly polarized soft X-ray high harmonics for X-ray magnetic circular dichroism

    Ingår i Proceedings of the National Academy of Sciences of the United States of America, s. 14206-14211, 2015.

    Open access
  • Feliciano, Gustavo T.; Sanz-Navarro, Carlos; Coutinho-Neto, Mauricio Domingues; Ordejon, Pablo et al.

    Capacitive DNA Detection Driven by Electronic Charge Fluctuations in a Graphene Nanopore

    Ingår i Physical Review Applied, 2015.

  • Bidermane, Ieva; Lüder, Johann; Totani, Roberta; Grazioli, Cesare et al.

    Characterization of Gas Phase of Iron Phthalocyanine with X-ray Photoelectron and Absorption Spectroscopies

    Ingår i Physica status solidi. B, Basic research, s. 1259-1265, 2015.

  • Lindström, Anna; Klintenberg, Mattias; Sanyal, Biplab; Mirbt, Susanne et al.

    Cl-doping of Te-rich CdTe: Complex formation, self-compensation and self-purification from first principles

    Ingår i AIP Advances, 2015.

    Open access
  • Nystrand, Thomas; Venemalm, J.; Werpers, Jonatan; Eriksson, Olle et al.

    Coarse-Graining Approach to Atomistic SpinDynamics

    Ingår i ULTRAFAST MAGNETISM I, s. 162-165, 2015.

  • Borlenghi, Simone; Iubini, Stefano; Lepri, Stefano; Bergqvist, Lars et al.

    Coherent energy transport in classical nonlinear oscillators: An analogy with the Josephson effect

    Ingår i Physical Review E. Statistical, Nonlinear, and Soft Matter Physics, 2015.

  • A 80121, Ångströmlaboratoriet, Lägerhyddsvägen 1, Uppsala 2015-10-20 kl 14:20

    Locht, Inka Laura Marie

    Cohesive and Spectroscopic properties of the Lanthanides within the Hubbard I Approximation

    Open access
  • Sagynbaeva, Myskal; Hussain, Tanveer; Panigrahi, Puspamitra; Johansson, Börje et al.

    Complementing the adsorption energies of CO2, H2S and NO2 to h-BN sheets by doping with carbon

    Ingår i Europhysics letters, 2015.

  • Zeiger, Paul

    Computational comparison of Bragg scattering and TDS intensity in a TEM at different temperatures using a gadolinium crystal

    2015.

    Open access
  • Kim, Sun-Woo; Kim, Hyun-Jung; Choi, Jin-Ho; Scheicher, Ralph H. et al.

    Contrasting interedge superexchange interactions of graphene nanoribbons embedded in h-BN and graphane

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Bhandary, Sumanta; Penazzi, Gabriele; Fransson, Jonas; Frauenheim, Thomas et al.

    Controlling Electronic Structure and Transport Properties of Zigzag Graphene Nanoribbons by Edge Functionalization with Fluorine

    Ingår i The Journal of Physical Chemistry C, s. 21227-21233, 2015.

  • Orthaber, Andreas; Löfås, Henrik; Öberg, Elisabet; Grigoriev, Anton et al.

    Cooperative Gold Nanoparticle Stabilization by Acetylenic Phosphaalkenes

    Ingår i Angewandte Chemie International Edition, s. 10634-10638, 2015.

  • Zguns, Pjotrs A.; Wessel, Michael; Skorodumova, Natalia V.

    Cu adatom charging on Mo supported ScN, MgO and NaF

    Ingår i RSC Advances, s. 94436-94445, 2015.

    Open access
  • Pershoguba, Sergey S.; Björnson, Kristofer; Black-Schaffer, Annica M.; Balatsky, Alexander V. et al.

    Currents Induced by Magnetic Impurities in Superconductors with Spin-Orbit Coupling

    Ingår i Physical Review Letters, 2015.

  • Tay, Qiuling; Kanhere, Pushkar; Ng, Chin Fan; Chen, Shi et al.

    Defect Engineered g-C3N4 for Efficient Visible Light Photocatalytic Hydrogen Production

    Ingår i Chemistry of Materials, s. 4930-4933, 2015.

  • Löfgren, André

    Detection of electron vortex beams: Using a scanning transmission electron microscope

    2015.

    Open access
  • Vovusha, Hakkim; Sanyal, Biplab

    DFT and TD-DFT studies on the electronic and optical properties of explosive molecules adsorbed on boron nitride and graphene nano flakes

    Ingår i RSC Advances, s. 4599-4608, 2015.

  • Frietsch, B.; Bowlan, J.; Carley, R.; Teichmann, M. et al.

    Disparate ultrafast dynamics of itinerant and localized magnetic moments in gadolinium metal

    Ingår i Nature Communications, 2015.

    Open access
  • Isaeva, Leyla; Hellman, O.; Lashley, J. C.; Abrikosov, I. A. et al.

    Dynamic stabilization of cubic AuZn

    Ingår i Materials today: Proceedings, s. S569-S572, 2015.

    Open access
  • Yudin, Dmitry; Eriksson, Olle; Katsnelson, Mikhail I.

    Dynamics of quasiparticles in graphene under intense circularly polarized light

    Ingår i Physical Review B Condensed Matter, 2015.

  • Oubelkacem, A.; Essaoudi, I.; Ainane, Abdelmajid; Dujardin, F. et al.

    Effect of Seeding Layers on Hysteresis Loops and Phase Transition of the Ferroelectric Thin Film

    Ingår i Ferroelectrics (Print), s. 1-10, 2015.

  • Dong, Zhihua; Li, Wei; Long, Mujun; Gui, Lintao et al.

    Effect of Temperature Reversion on Hot Ductility and Flow Stress-Strain Curves of C-Mn Continuously Cast Steels

    Ingår i Metallurgical and materials transactions. B, process metallurgy and materials processing science, s. 1885-1894, 2015.

  • Johansson, Robert; Ahuja, Rajeev; Eriksson, Olle; Hjörvarsson, Björgvin et al.

    Effect of uniaxial strain on the site occupancy of hydrogen in vanadium from density-functional calculations

    Ingår i Scientific Reports, 2015.

    Open access
  • Tian, Li-Yun; Hu, Qing-Miao; Yang, Rui; Zhao, Jijun et al.

    Elastic constants of random solid solutions by SQS and CPA approaches: the case of fcc Ti-Al

    Ingår i Journal of Physics, 2015.

  • Srivastava, Anurag; Sharma, Vikash; Kaur, Kamalpreet; Khan, Md. Shahzad et al.

    Electron transport properties of a single-walled carbon nanotube in the presence of hydrogen cyanide: first-principles analysis

    Ingår i Journal of Molecular Modeling, 2015.

  • Pohl, Darius; Schneider, Sebastian; Rusz, Jan; Rellinghaus, Bernd et al.

    Electron vortex beams prepared by a spiral aperture with the goal to measure EMCD on ferromagnetic films via STEM

    Ingår i Ultramicroscopy, s. 16-22, 2015.

  • Rasander, Mikael; Bergqvist, Lars; Delin, Anna

    Electronic structure and lattice dynamics in the FeSb3 skutterudite from density functional theory

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Vovusha, Hakkim; Banerjee, Debapriya; Oumata, Nassima; Sanyal, Biplab et al.

    Electronic structure and spectroscopic properties of 6-aminophenanthridine and its derivatives: Insights from density functional theory

    Ingår i International Journal of Quantum Chemistry, s. 846-852, 2015.

  • Panda, S. K.; Bhowal, S.; Li, Ying; Ganguly, S. et al.

    Electronic structure and spin-orbit driven magnetism in d(4.5) insulator Ba3YIr2O9

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

    Open access
  • Kvashnin, Yaroslav O.; Weiwei, Sun; Di Marco, Igor; Eriksson, Olle et al.

    Electronic topological transition and noncollinear magnetism in compressed hcp Co

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

    Open access
  • Rudolf, Dennis; La-O-Vorakiat, Chan; Battiato, Marco; Adam, Roman et al.

    Element Selective Investigation of Spin Dynamics in Magnetic Multilayers

    Ingår i Ultrafast Magnetism I, s. 307-309, 2015.

  • Krumme, B.; Auge, A.; Herper, Heike C.; Opahle, I. et al.

    Element-specific electronic structure and magnetic properties of an epitaxial Ni51.6Mn32.9Sn15.5 thin film at the austenite-martensite transition

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Tian, Fuyang; Varga, Lajos K.; Chen, Nanxian; Shen, Jiang et al.

    Empirical design of single phase high-entropy alloys with high hardness

    Ingår i Intermetallics (Barking), s. 1-6, 2015.

  • Borlenghi, Simone; Iubini, Stefano; Lepri, Stefano; Chico, Jonathan et al.

    Energy and magnetization transport in nonequilibrium macrospin systems

    Ingår i Physical Review E. Statistical, Nonlinear, and Soft Matter Physics, 2015.

  • Silvearv, Fredrik; Larsson, Peter; Jones, Sarah. L. T.; Ahuja, Rajeev et al.

    Establishing the most favorable metal-carbon bond strength for carbon nanotube catalysts

    Ingår i Journal of Materials Chemistry C, s. 3422-3427, 2015.

  • Pereiro, Manuel; Etz, Corina; Bergqvist, Lars; Bergman, Anders et al.

    Evanescent exchange magnons in a 1D magnonic crystal

    Ingår i Ultrafast Magnetism I, s. 94-97, 2015.

  • Kvashnin, Yaroslav O.; Grånäs, Oscar; Di Marco, Igor; Katsnelson, M. I. et al.

    Exchange parameters of strongly correlated materials: Extraction from spin-polarized density functional theory plus dynamical mean-field theory

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Komendova, Lucia; Balatsky, A. V.; Black-Schaffer, Annica M.

    Experimentally observable signatures of odd-frequency pairing in multiband superconductors

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Black-Schaffer, Annica M.; Balatsky, A. V.; Fransson, Jonas

    Filling of magnetic-impurity-induced gap in topological insulators by potential scattering

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Yadav, Manoj K.; Sanyal, Biplab

    First principles study of thermoelectric properties of Li-based half-Heusler alloys

    Ingår i Journal of Alloys and Compounds, s. 388-393, 2015.

  • Jakobsson, Adam; Mavropoulos, Phivos; Sasioglu, Erzoy; Blugel, Stephan et al.

    First-principles calculations of exchange interactions, spin waves, and temperature dependence of magnetization in inverse-Heusler-based spin gapless semiconductors

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Kocevski, Vancho; Rusz, Jan; Eriksson, Olle; Sarma, Dipankar Das et al.

    First-principles study of the influence of different interfaces and core types on the properties of CdSe/CdS core-shell nanocrystals

    Ingår i Scientific Reports, 2015.

    Open access
  • Paul, Souvik; Sanyal, Biplab; Ghosh, Subhradip

    First-principles study of the lattice instabilities in Mn2NiX (X = Al, Ga, In, Sn) magnetic shape memory alloys

    Ingår i Journal of Physics, s. 035401-, 2015.

  • Reichel, L.; Schultz, L.; Pohl, D.; Oswald, S. et al.

    From soft to hard magnetic Fe-Co-B by spontaneous strain: a combined first principles and thin film study

    Ingår i Journal of Physics, 2015.

  • Thonig, Danny; Henk, Juergen; Eriksson, Olle

    Gilbert-like damping caused by time retardation in atomistic magnetization dynamics

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Sun, Weiwei; Li, Yunguo; Zhu, Li; Ma, Yanming et al.

    Gluing together metallic and covalent layers to form Ru2C under ambient conditions

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 9730-9736, 2015.

  • Nordström, Johan

    GPU parallelization of the Mishchenko method for solving Fredholm equations of the first kind

    2015.

    Open access
  • Reichel, L.; Salikhov, R.; Giannopoulos, G.; Edström, Alexander et al.

    High magnetic anisotropy of strained epitaxial Fe-Co-X films - buffer induced distortion versus spontaneous strain

    Ingår i 2015 IEEE MAGNETICS CONFERENCE (INTERMAG), 2015.

  • Prasongkit, Jariyanee; Amorim, Rodrigo G.; Chakraborty, Sudip; Ahuja, Rajeev et al.

    Highly Sensitive and Selective Gas Detection Based on Silicene

    Ingår i The Journal of Physical Chemistry C, s. 16934-16940, 2015.

  • Lai, Qiwen; Paskevicius, Mark; Sheppard, Drew A.; Buckley, Craig E. et al.

    Hydrogen Storage Materials for Mobile and Stationary Applications: Current State of the Art

    Ingår i ChemSusChem, s. 2789-2825, 2015.

  • Hussain, Tanveer; Islam, Muhammed Shafiqul; Rao, G. S.; Panigrahi, Puspamitra et al.

    Hydrogen storage properties of light metal adatoms (Li, Na) decorated fluorographene monolayer

    Ingår i Nanotechnology, 2015.

  • Benhouria, Y.; Essaoudi, I.; Ainane, Abdelmajid; Ahuja, Rajeev et al.

    Hysteresis Behavior and Pyroelectric Properties of Multi-Surface Ferroelectric Thin Films

    Ingår i Zhongguó wùli xuékan, 2015.

  • Hussain, Tanveer; Maark, Tuhina Adit; Chakraborty, Sudip; Ahuja, Rajeev et al.

    Improvement in Hydrogen Desorption from - and -MgH2 upon Transition-Metal Doping

    Ingår i ChemPhysChem, s. 2557-2561, 2015.

  • Fransson, Jonas

    Inelastic-impurity-scattering-induced spin texture and topological transitions in surface electron waves

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Kocevski, Vancho; Eriksson, Olle; Gerard, Celine; Sarma, D. D. et al.

    Influence of dimensionality and interface type on optical and electronic properties of CdS/ZnS core-shell nanocrystals: a first-principles study

    Ingår i Journal of Chemical Physics, 2015.

  • Morooka, Eiakihonroeda

    Influence of Electron-Phonon Coupling Strength on the Superconductivity in APt3P (A = Sr, Ca, La) Compounds

    2015.

    Open access
  • Brena, Barbara; Herper, Heike C.

    Influence of ligands on the electronic and magnetic properties of Fe porphyrin in gas phase and on Cu(001)

    Ingår i Journal of Applied Physics, 2015.

  • Araujo, Rafael B.; de Almeida, J. S.; da Silva, A. Ferreira; Ahuja, Rajeev et al.

    Insights in the electronic structure and redox reaction energy in LiFePO4 battery material from an accurate Tran-Blaha modified Becke Johnson potential

    Ingår i Journal of Applied Physics, 2015.

  • Roy, S.; Autieri, Carmine; Sanyal, Biplab; Banerjee, T. et al.

    Interface control of electronic transport across the magnetic phase transition in SrRuO3/SrTiO3 heterointerface

    Ingår i Scientific Reports, 2015.

    Open access
  • Legut, D.; Tesch, M. F.; Oppeneer, Peter; Mertins, H. -Ch. et al.

    Interference Effects in T-MOKE Spectra of Fe Thin Films at the 3p Edges - Theory and Experiment

    Ingår i Acta Physica Polonica. A, s. 466-468, 2015.

  • Holec, David; Legut, Dominik; Isaeva, Leyla; Souvatzis, Petros et al.

    Interplay between effect of Mo and chemical disorder on the stability of β/βo-TiAl phase

    Ingår i Intermetallics (Barking), s. 85-90, 2015.

  • Berritta, Marco; Manrique, David Zs.; Lambert, Colin J.

    Interplay between quantum interference and conformational fluctuations in single-molecule break junctions

    Ingår i Nanoscale, s. 1096-1101, 2015.

  • Hinzke, D.; Berritta, Marco; Atxitia, U.; Mondal, Ritwik et al.

    Inverse Faraday effect as mechanism for ultrafast all-optical magnetic switching

    Ingår i 2015 IEEE Magnetics Conference (INTERMAG), 2015.

  • Li, G.; Vitos, Levente

    Investigation of antiferromagnetic order in FeMnP0.75Si0.25 alloy for magnetocaloric application by first principles calculations

    Ingår i 2015 IEEE Magnetics Conference (INTERMAG), 2015.

  • El Hamri, M.; Bouhou, S.; Essaoudi, I.; Ainane, Abdelmajid et al.

    Investigation of the surface shell effects on the magnetic properties of a transverse antiferromagnetic Ising nanocube

    Ingår i Superlattices and Microstructures, s. 151-168, 2015.

  • Andersson, Magnus

    Investigations of domain-wall motion using atomistic spin dynamics

    2015.

    Open access
  • Muto, Shunsuke; Rusz, Jan; Tatsumi, Kazumasa; Thersleff, Thomas et al.

    (Invited) Current progress in nanometric magnetic moment measurements based on electron magnetic circular dichroism

    2015.

  • Thersleff, Thomas; Rusz, Jan; Muto, Shunsuke; Leifer, Klaus et al.

    (Invited) Linking magnetic properties to nanoscale spectral and spatial features

    Ingår i 79. Jahrestagung der DPG und DPG-Frühjahrstagung, 2015.

  • Lubk, A.; Rusz, Jan

    Jacob's ladder of approximations to paraxial dynamic electron scattering

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Pietzsch, Annette; Nisar, Jawad; Jamstorp, Erik; Gråsjö, Johan et al.

    Kaolinite: defect states define material properties-a soft x-ray and first principles study of the band gap

    Ingår i Journal of Electron Spectroscopy and Related Phenomena, s. 11-15, 2015.

  • Leetmaa, Mikael; Skorodumova, Natalia V.

    KMCLib 1.1: Extended random number support and technical updates to the KMCLib general framework for kinetic Monte-Carlo simulations

    Ingår i Computer Physics Communications, s. 611-613, 2015.

  • Xu, D. B.; Sun, C. J.; Chen, J. S.; Heald, S. M. et al.

    Large enhancement of magnetic moment in L1(0) ordered FePt thin films by Nd substitutional doping

    Ingår i Journal of Physics D, 2015.

  • Chimata, Raghuveer; Chico, Jonathan; Bergman, Anders; Berqvist, Lars et al.

    Laser heated ferromagnetic simulations

    Ingår i Ultrafast Magnetism I, s. 76-78, 2015.

  • Wang, Baotian; Souvatzis, Petros; Eriksson, Olle; Zhang, Ping et al.

    Lattice dynamics and chemical bonding in Sb2Te3 from first-principles calculations

    Ingår i Journal of Chemical Physics, 2015.

  • Keshavarz, Samara; Kvashnin, Yaroslav O.; Di Marco, Igor; Delin, Anna et al.

    Layer-resolved magnetic exchange interactions of surfaces of late 3d elements: Effects of electronic correlations

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

    Open access
  • Kuz'min, M. D.; Skokov, K. P.; Radulov, I.; Schwoebel, C. A. et al.

    Magnetic anisotropy of La2Co7

    Ingår i Journal of Applied Physics, 2015.

  • Walker, H. C.; McEwen, K. A.; Griveau, J. -C; Eloirdi, R. et al.

    Magnetic, electrical, and thermodynamic properties of NpIr: Ambient and high-pressure measurements, and electronic structure calculations

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Magnani, N.; Caciuffo, R.; Wilhelm, F.; Colineau, E. et al.

    Magnetic Polarization of the Americium J=0 Ground State in AmFe2

    Ingår i Physical Review Letters, 2015.

  • Bouhou, S.; Essaoudi, I.; Ainane, A.; Oubelkacem, A. et al.

    Magnetic Properties of a Transverse Ising Nanoparticle

    Ingår i Journal of Superconductivity and Novel Magnetism, s. 885-890, 2015.

  • Edström, Alexander; Werwinski, M.; Iusan, Diana; Rusz, Jan et al.

    Magnetic properties of (Fe1-xCox)(2)B alloys and the effect of doping by 5d elements

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

    Open access
  • Saygun, Turab

    Magnetic State Detection in Magnetic Molecules Using Electrical Currents

    2015.

    Open access
  • Morari, C.; Beiuseanu, F.; Di Marco, Igor; Peters, L. et al.

    Magnetism and electronic structure calculation of SmN

    Ingår i Journal of Physics, 2015.

  • Zhou, Jian; Sa, Baisheng; Sun, Zhimei; Si, Chen et al.

    Manipulating carriers' spin polarization in the Heusler alloy Mn2CoAl

    Ingår i RSC Advances, s. 73814-73819, 2015.

  • Ganguly, Shreemoyee; Kabir, Mukul; Autieri, Carmine; Sanyal, Biplab et al.

    Manipulating magnetism of MnO nano-clusters by tuning the stoichiometry and charge state

    Ingår i Journal of Physics, s. 056002-, 2015.

  • Seymour, Ieuan D.; Chakraborty, Sudip; Middlemiss, Derek S.; Wales, David J. et al.

    Mapping Structural Changes in Electrode Materials: Application of the Hybrid Eigenvector-Following Density Functional Theory (DFT) Method to Layered Li0.5MnO2

    Ingår i Chemistry of Materials, s. 5550-5561, 2015.

  • Leetmaa, Mikael; Skorodumova, Natalia V.

    Mean square displacements with error estimates from non-equidistant time-step kinetic Monte Carlo simulations

    Ingår i Computer Physics Communications, s. 119-124, 2015.

  • Schoenecker, Stephan; Li, Xiaoqing; Koepernik, Klaus; Johansson, Börje et al.

    Metastable cubic and tetragonal phases of transition metals predicted by density-functional theory

    Ingår i RSC Advances, s. 69680-69689, 2015.

  • Delczeg-Czirjak, Erna K.; Delczeg, L.; Vitos, Levente; Eriksson, Olle et al.

    Monovacancy formation energies and Fermi surface topological transitions in Pd-Ag alloys

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Hinzke, D.; Atxitia, U.; Carva, Karel; Nieves, P. et al.

    Multiscale modeling of ultrafast element- specific magnetization dynamics in FeNi ferromagnetic alloys

    Ingår i 2015 IEEE Magnetics Conference (INTERMAG), 2015.

  • Hinzke, D.; Atxitia, U.; Carva, Karel; Nieves, P. et al.

    Multiscale modeling of ultrafast element-specific magnetization dynamics of ferromagnetic alloys

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Dwibedi, Debasmita; Araujo, Rafael B.; Chakraborty, Sudip; Shanbogh, Pradeep P. et al.

    Na2.44Mn1.79(SO4)(3): a new member of the alluaudite family of insertion compounds for sodium ion batteries

    Ingår i Journal of Materials Chemistry A, s. 18564-18571, 2015.

  • Jafri, S. Hassan M.; Löfås, Henrik; Blom, Tobias; Wallner, Andreas et al.

    Nano-fabrication of molecular electronic junctions by targeted modification of metal-molecule bonds

    Ingår i Scientific Reports, 2015.

    Open access
  • Li, Hu; Daukiya, Lakshya; Haldar, Soumyajyoti; Lindblad, Andreas et al.

    Nanoscale structural and electronic modifications of graphene

    2015.

  • Snezhkova, Olesia; Lüder, Johann; Wiengarten, Alissa; Burema, Shiri R. et al.

    Nature of the bias-dependent symmetry reduction of iron phthalocyanine on Cu(111)

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Livanas, G.; Aperis, Alex; Kotetes, P.; Varelogiannis, G. et al.

    Nematicity from mixed S± + dx2-y2 states in iron-based superconductors

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Ganguly, Shreemoyee; Granas, Oscar; Nordstrom, Lars

    Nontrivial order parameter in Sr2IrO4

    Ingår i Physical Review B. Condensed Matter and Materials Physics, s. 020404-, 2015.

  • Ganguly, Shreemoyee; Chimata, Raghuveer; Sanyal, Biplab

    Overcoming magnetic frustration and promoting half-metallicity in spinel CoCr2O4 by doping with Fe

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Dobrota, Ana S.; Pasti, Igor A.; Skorodumova, Natalia V.

    Oxidized graphene as an electrode material for rechargeable metal-ion batteries - a DFT point of view

    Ingår i Electrochimica Acta, s. 1092-1099, 2015.

  • Huang, Shuo; Vida, Adam; Molnar, David; Kadas, Krisztina et al.

    Phase stability and magnetic behavior of FeCrCoNiGe high-entropy alloy

    Ingår i Applied Physics Letters, 2015.

  • Thonig, Danny; Honk, J.

    Pinning of thermal excitations at defects in artificial dipolar arrays: A theoretical investigation

    Ingår i Journal of Magnetism and Magnetic Materials, s. 117-124, 2015.

  • Leo, Naemi; Bergman, Anders; Cano, Andres; Poudel, Narayan et al.

    Polarization control at spin-driven ferroelectric domain walls

    Ingår i Nature Communications, 2015.

  • Bondarenko, Nina; Eriksson, Olle; Skorodumova, Natalia. V.

    Polaron mobility in oxygen-deficient and lithium-doped tungsten trioxide

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

    Open access
  • Dahlstrand, Christian; Jahn, Burkhard O.; Grigoriev, Anton; Villaume, Sebastien et al.

    Polyfulvenes: Polymers with "Handles" That Enable Extensive Electronic Structure Tuning

    Ingår i The Journal of Physical Chemistry C, s. 25726-25737, 2015.

  • Conradson, Steven D.; Gilbertson, Steven M.; Daifuku, Stephanie L.; Kehl, Jeffrey A. et al.

    Possible Demonstration of a Polaronic Bose-Einstein(-Mott) Condensate in UO2(+x) by Ultrafast THz Spectroscopy and Microwave Dissipation

    Ingår i Scientific Reports, 2015.

    Open access
  • Arslanov, Temirlan R.; Mollaev, Akhmedbek Yu.; Kamilov, Ibragimkhan K.; Arslanov, Rasul K. et al.

    Pressure control of magnetic clusters in strongly inhomogeneous ferromagnetic chalcopyrites

    Ingår i Scientific Reports, s. 7720-, 2015.

  • Zhang, Xinyu; Qin, Jiaqian; Liu, Hanyu; Zhang, Shiliang et al.

    Pressure-induced zigzag phosphorus chain and superconductivity in boron monophosphide

    Ingår i Scientific Reports, 2015.

    Open access
  • Björnson, Kristofer; Black-Schaffer, Annica M.

    Probing vortex Majorana fermions and topology in semiconductor/superconductor heterostructures

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Thersleff, Thomas; Rusz, Jan; Rubino, Stefano; Hjörvarsson, Björgvin et al.

    Quantitative analysis of magnetic spin and orbital moments from an oxidized iron (110) surface using electron magnetic circular dichroism

    Ingår i Scientific Reports, 2015.

    Open access
  • Ben Romdhane, Ferdaous; Cretu, Ovidiu; Debbichi, Lamjed; Eriksson, Olle et al.

    Quasi-2D Cu2S Crystals on Graphene: In-situ Growth and ab-initio Calculations

    Ingår i Small, s. 1253-1257, 2015.

  • Chaudhary, Shilpi; Head, Ashley R.; Sanchez-de-Armas, Rocio; Tissot, Heloise et al.

    Real-Time Study of CVD Growth of Silicon Oxide on Rutile TiO2(110) Using Tetraethyl Orthosilicate

    Ingår i The Journal of Physical Chemistry C, s. 19149-19161, 2015.

    Open access
  • Mondal, Ritwik; Berritta, Marco; Paillard, Charles; Singh, Surendra et al.

    Relativistic interaction Hamiltonian coupling the angular momentum of light and the electron spin

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Smith, Anderson D.; Elgammal, Karim; Niklaus, Frank; Delin, Anna et al.

    Resistive graphene humidity sensors with rapid and direct electrical readout

    Ingår i Nanoscale, s. 19099-19109, 2015.

    Open access
  • Kuronen, A.; Granroth, S.; Heinonen, M. H.; Perala, R. E. et al.

    Segregation, precipitation, and alpha-alpha ' phase separation in Fe-Cr alloys

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

    Open access
  • Mahabal, Manasi S.; Deshpande, Mrinalini D.; Hussain, Tanveer; Ahuja, Rajeev et al.

    Sensing Characteristics of a Graphene-like Boron Carbide Monolayer towards Selected Toxic Gases

    Ingår i ChemPhysChem, s. 3511-3517, 2015.

  • Kvashnina, Kristina; Kvashnin, Yaroslav; Vegelius, Johan R.; Bosak, Alexei et al.

    Sensitivity to Actinide Doping of Uranium Compounds by Resonant Inelastic X-ray Scattering at Uranium L-3 Edge

    Ingår i Analytical Chemistry, s. 8772-8780, 2015.

  • Amorim, Rodrigo G.; Scheicher, Ralph H.

    Silicene as a new potential DNA sequencing device

    Ingår i Nanotechnology, 2015.

  • Kocevski, Vancho; Eriksson, Olle; Rusz, Jan

    Size dependence of the stability, electronic structure, and optical properties of silicon nanocrystals with various surface impurities

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Shepidchenko, Anna; Sanyal, Biplab; Klintenberg, Mattias; Mirbt, Susanne et al.

    Small hole polaron in CdTe: Cd-vacancy revisited

    Ingår i Scientific Reports, 2015.

    Open access
  • Sanchez-de-Armas, Rocio; Brena, Barbara; Rivalta, Ivan; Araujo, Carlos Moyses Graca et al.

    Soft X-ray Spectroscopic Properties of Ruthenium Complex Catalyst under CO2 Electrochemical Reduction Conditions: A First-Principles Study

    Ingår i The Journal of Physical Chemistry C, s. 22899-22907, 2015.

  • Wortelen, H.; Miyamoto, K.; Mirhosseini, H.; Okuda, T. et al.

    Spin-orbit influence on dz2-type surface state at Ta(110)

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

    Open access
  • Björnson, Kristofer; Pershoguba, Sergey S.; Balatsky, Alexander V.; Black-Schaffer, Annica M. et al.

    Spin-polarized edge currents and Majorana fermions in one- and two-dimensional topological superconductors

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

    Open access
  • Engelkamp, B.; Wortelen, H.; Mirhosseini, H.; Schmidt, A. B. et al.

    Spin-polarized surface electronic structure of Ta(110): Similarities and differences to W(110)

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Sun, Weiwei; Luo, Wei; Ahuja, Rajeev

    Stability of a new cubic monoxide of Thorium under pressure

    Ingår i Scientific Reports, 2015.

    Open access
  • Sun, Weiwei; Ehteshami, Hossein; Korzhavyi, Pavel A.

    Structure and energy of point defects in TiC: An ab initio study

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Kanhere, Pushkar; Chakraborty, Sudip; Rupp, Caroline J.; Ahuja, Rajeev et al.

    Substitution induced band structure shape tuning in hybrid perovskites (CH3NH3Pb1-xSnxI3) for efficient solar cell applications

    Ingår i RSC Advances, s. 107497-107502, 2015.

  • Westerström, Rasmus; Uldry, Anne-Christine; Stania, Roland; Dreiser, Jan et al.

    Surface Aligned Magnetic Moments and Hysteresis of an Endohedral Single-Molecule Magnet on a Metal

    Ingår i Physical Review Letters, 2015.

  • Sundaram, Manickam Minakshi; Watcharatharapong, Teeraphat; Chakraborty, Sudip; Ahuja, Rajeev et al.

    Synthesis, and crystal and electronic structure of sodium metal phosphate for use as a hybrid capacitor in non-aqueous electrolyte

    Ingår i Dalton Transactions, s. 20108-20120, 2015.

  • Haldar, Soumyajyoti; Vovusha, Hakkim; Yadav, Manoj Kumar; Eriksson, Olle et al.

    Systematic study of structural, electronic, and optical properties of atomic-scale defects in the two-dimensional transition metal dichalcogenides MX2 (M=Mo, W; X=S, Se, Te)

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Huang, Shuo; Li, Wei; Lu, Song; Tian, Fuyang et al.

    Temperature dependent stacking fault energy of FeCrCoNiMn high entropy alloy

    Ingår i Scripta Materialia, s. 44-47, 2015.

  • Mace, Amber; Leetmaa, Mikael; Laaksonen, Aatto

    Temporal Coarse Graining of CO2 and N-2 Diffusion in Zeolite NaKA: From the Quantum Scale to the Macroscopic

    Ingår i Journal of Chemical Theory and Computation, s. 4850-4860, 2015.

  • Li, Xiaoqing; Schonecker, Stephan; Simon, Eszter; Bergqvist, Lars et al.

    Tensile strain-induced softening of iron at high temperature

    Ingår i Scientific Reports, 2015.

    Open access
  • Rupp, Caroline J.; Chakraborty, Sudip; Ahuja, Rajeev; Baierle, Rogerio J. et al.

    The effect of impurities in ultra-thin hydrogenated silicene and germanene: a first principles study

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 22210-22216, 2015.

  • Kotmool, Komsilp; Bovornratanaraks, Thiti; Chakraborty, Sudip; Ahuja, Rajeev et al.

    The effect of morphology and confinement on the high-pressure phase transition in ZnO nanostructure

    Ingår i Journal of Applied Physics, 2015.

  • Luder, Johann; de Simone, Monica; Totani, Roberta; Coreno, Marcello et al.

    The electronic characterization of biphenylene-Experimental and theoretical insights from core and valence level spectroscopy

    Ingår i Journal of Chemical Physics, 2015.

  • Brumboiu, Iulia Emilia; Ericsson, Leif; Hansson, Rickard; Moons, Ellen et al.

    The influence of oxygen adsorption on the NEXAFS and core-level XPS spectra of the C-60 derivative PCBM

    Ingår i Journal of Chemical Physics, 2015.

  • Oubelkacem, A.; Essaoudi, I.; Ainane, A.; Ahuja, Rajeev et al.

    The Magnetic Properties of Multi-surface Transverse Ferroelectric Ising Thin Films

    Ingår i Journal of Superconductivity and Novel Magnetism, s. 877-883, 2015.

  • Prasongkit, Jariyanee; Feliciano, Gustavo T.; Rocha, Alexandre R.; He, Yuhui et al.

    Theoretical assessment of feasibility to sequence DNA through interlayer electronic tunneling transport at aligned nanopores in bilayer graphene

    Ingår i Scientific Reports, 2015.

    Open access
  • Li, Chun-Mei; Hu, Qing-Miao; Yang, Rui; Johansson, Börje et al.

    Theoretical investigation of the magnetic and structural transitions of Ni-Co-Mn-Sn metamagnetic shape-memory alloys

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Pasti, Igor A.; Skorodumova, Natalia V.; Mentus, Slavko V.

    Theoretical studies in catalysis and electrocatalysis: from fundamental knowledge to catalyst design

    Ingår i Reaction Kinetics, Mechanisms and Catalysis, s. 5-32, 2015.

  • Å10132 (Häggsalen), Ångström Laboratory, Lägerhydddsvägen 1, Uppsala 2015-05-27 kl 13:30

    Kocevski, Vancho

    Theory and Modelling of Functional Materials

    Open access
  • Carva, Karel; Battiato, Marco; Legut, Dominik; Oppeneer, Peter M. et al.

    Theory of femtosecond laser-induced demagnetization

    Ingår i ULTRAFAST MAGNETISM I, s. 111-115, 2015.

  • Berggren, Peter; Fransson, Jonas

    Theory of spin inelastic tunneling spectroscopy for superconductor-superconductor and superconductor-metal junctions

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Dong, Zhihua; Li, Wei; Schonecker, Stephan; Lu, Song et al.

    Thermal spin fluctuation effect on the elastic constants of paramagnetic Fe from first principles

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Schonecker, Stephan; Li, Xiaoqing; Johansson, Börje; Kwon, Se Kyun et al.

    Thermal surface free energy and stress of iron

    Ingår i Scientific Reports, 2015.

    Open access
  • El Hamri, M.; Bouhou, S.; Essaoudi, I.; Ainane, Abdelmajid et al.

    Thermodynamic Properties of the Core/Shell Antiferromagnetic Ising Nanocube

    Ingår i Journal of Superconductivity and Novel Magnetism, s. 3127-3133, 2015.

  • Li, Guijiang; Eriksson, Olle; Johansson, Börje; Vitos, Levente et al.

    Thermodynamic-state and kinetic-process dependent dual ferromagnetic states in high-Si content FeMn(PSi) alloys

    Ingår i Journal of Applied Physics, 2015.

  • Esteban Puyuelo, Raquel

    Tight Binding Modelling of Materials

    2015.

    Open access
  • Black-Schaffer, Annica M.; Le Hur, K.

    Topological superconductivity in two dimensions with mixed chirality

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Niarchos, D.; Giannopoulos, G.; Gjoka, M.; Sarafidis, C. et al.

    Toward Rare-Earth-Free Permanent Magnets: A Combinatorial Approach Exploiting the Possibilities of Modeling, Shape Anisotropy in Elongated Nanoparticles, and Combinatorial Thin-Film Approach

    Ingår i JOM, s. 1318-1328, 2015.

  • Lee, Juwon; Subramaniam, Nagarajan Ganapathi; Kowalik, Iwona Agnieszka; Nisar, Jawad et al.

    Towards a new class of heavy ion doped magnetic semiconductors for room temperature applications

    Ingår i Scientific Reports, 2015.

    Open access
  • Hall IX, Main University Building, Biskopsgatan 3, Uppsala 2015-02-13 kl 09:15

    Yudin, Dmitry

    Trends in Magnetism: From Strong Correlations to “-onics” Technology

    Open access
  • Durrenfeld, P.; Gerhard, F.; Chico, Jonathan; Dumas, R. K. et al.

    Tunable damping, saturation magnetization, and exchange stiffness of half-Heusler NiMnSb thin films

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Yin, Yuli; Pan, Fan; Ahlberg, Martina; Ranjbar, Mojtaba et al.

    Tunable permalloy-based films for magnonic devices

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Debbichi, L.; Eriksson, Olle; Lebegue, S.

    Two-Dimensional Indium Selenides Compounds: An Ab Initio Study

    Ingår i Journal of Physical Chemistry Letters, s. 3098-3103, 2015.

  • Locht, Inka L. M.; Di Marco, Igor; Garnerone, S.; Delin, Anna et al.

    Ultrafast magnetization dynamics: Microscopic electronic configurations and ultrafast spectroscopy

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Kampfrath, T.; Battiato, Marco; Sell, A.; Freimuth, F. et al.

    Ultrafast spin precession and transport controlled and probed with terahertz radiation

    Ingår i Ultrafast Magnetism I, s. 324-326, 2015.

  • Li, Chun-Mei; Hu, Qing-Miao; Yang, Rui; Johansson, Borje et al.

    Understanding the martensitic phase transition of Ni-2(Mn1-xFex)Ga magnetic shape-memory alloys from theoretical calculations

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Szilva, Attila; Balla, P.; Eriksson, Olle; Zarand, G. et al.

    Universal distribution of magnetic anisotropy of impurities in ordered and disordered nanograins

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Ali, Md. Ehesan; Oppeneer, Peter M.

    Unraveling the Electronic Structure, Spin States, Optical and Vibrational Spectra of Malaria Pigment

    Ingår i Chemistry - A European Journal, s. 8544-8553, 2015.

  • Araujo, Rafael B.; Chakraborty, Sudip; Ahuja, Rajeev

    Unveiling the charge migration mechanism in Na2O2: implications for sodium-air batteries

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 8203-8209, 2015.

  • Peters, L.; Di Marco, Igor; Litsarev, M. S.; Delin, Anna et al.

    Valence and spectral properties of rare-earth clusters

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Arapan, Sergiu; Simak, Sergei I.; Skorodumova, Natalia V.

    Volume-dependent electron localization in ceria

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Panda, Swarup K.; Thunström, Patrik; Di Marco, Igor; Schött, Johan et al.

    A charge self-consistent LDA plus DMFT study of the spectral properties of hexagonal NiS

    Ingår i New Journal of Physics, s. 093049-, 2014.

  • Wang, Baochang; Arhammar, Cecilia; Jiang, Xue; Araujo, Carlos Moyses Graca et al.

    A Comparison Between Hybrid Functional, GW Approach and the Bethe Salpether Equation: Optical Properties of High Pressure Phases of TiO2

    Ingår i Science of Advanced Materials, s. 1170-1178, 2014.

  • Löfås, Henrik; Jahn, B. O.; Wärnå, John; Emanuelsson, Rikard et al.

    A computational study of potential molecular switches that exploit Baird's rule on excited-state aromaticity and antiaromaticity

    Ingår i Faraday discussions (Online), s. 105-124, 2014.

  • Sun, Weiwei; Di Marco, Igor; Korzhavyi, Pavel

    A LDA+U and LDA+DMFT study of uranium mononitride: from nonmagnetic to paramagnetic and ferromagnetic

    Ingår i Symposium S – Actinides—Basic Science, Applications and Technology, 2014.

  • Umrao, Sima; Abraham, Shiju; Theil, Frank; Pandey, Shobhit et al.

    A possible mechanism for the emergence of an additional band gap due to a Ti-O-C bond in the TiO2-graphene hybrid system for enhanced photodegradation of methylene blue under visible light

    Ingår i RSC Advances, s. 59890-59901, 2014.

  • Chowdhury, Suman; Baidya, Santu; Nafday, Dhani; Haldar, Soumyajyoti et al.

    A real-space study of random extended defects in solids: Application to disordered Stone–Wales defects in graphene

    Ingår i Physica. E, Low-Dimensional systems and nanostructures, s. 191-197, 2014.

  • Maldonado, Pablo; Evins, L. Z.; Oppeneer, Peter M.

    Ab Initio Atomistic Thermodynamics of Water Reacting with Uranium Dioxide Surfaces

    Ingår i The Journal of Physical Chemistry C, s. 8491-8500, 2014.

  • Xu, Jingcheng; Zhao, Jijun; Korzhavyi, Pavel; Johansson, Börje et al.

    Ab initio calculations of elastic properties of Fe-Cr-W alloys

    Ingår i Computational materials science, s. 301-305, 2014.

  • Tian, Fuyang; Varga, Lajos Karoly; Chen, Nanxian; Shen, Jiang et al.

    Ab initio design of elastically isotropic TiZrNbMoVx high-entropy alloys

    Ingår i Journal of Alloys and Compounds, s. 19-25, 2014.

  • Rusz, Jan; Idrobo, Juan-Carlos; Bhowmick, Somnath

    Achieving Atomic Resolution Magnetic Dichroism by Controlling the Phase Symmetry of an Electron Probe

    Ingår i Physical Review Letters, s. 145501-, 2014.

  • Grechnev, G. E.; Panfilov, A. S.; Fedorchenko, A. V.; Lyogenkaya, A. A. et al.

    Anisotropy of magnetic properties of Fe1+y Te

    Ingår i Journal of Physics, s. 436003-, 2014.

  • Zhang, Hualei; Li, Xiaoqing; Schonecker, Stephan; Jesperson, Henrik et al.

    Anomalous elastic hardening in Fe-Co alloys at high temperature

    Ingår i Physical Review B. Condensed Matter and Materials Physics, s. 184107-, 2014.

  • Li, Xiaoqing; Schonecker, Stephan; Zhao, Jijun; Johansson, Börje et al.

    Anomalous ideal tensile strength of ferromagnetic Fe and Fe-rich alloys

    Ingår i Physical Review B. Condensed Matter and Materials Physics, s. 024201-, 2014.

  • Girovsky, Jan; Tarafder, Kartick; Waeckerlin, Christian; Nowakowski, Jan et al.

    Antiferromagnetic coupling of Cr-porphyrin to a bare Co substrate

    Ingår i Physical Review B. Condensed Matter and Materials Physics, s. 220404-, 2014.

  • Paul, Souvik; Kundu, Ashis; Sanyal, Biplab; Ghosh, Subhradip et al.

    Anti-site disorder and improved functionality of Mn2NiX (X = Al, Ga, In, Sn) inverse Heusler alloys

    Ingår i Journal of Applied Physics, s. 133903-, 2014.

  • Kuzmin, Mikhail; Punkkinen, Marko P. J.; Laukkanen, Pekka; Lang, Jouko J. K. et al.

    Atomic-Level Understanding of Interfaces in the Synthesis of Crystalline Oxides on Semiconductors: Sr- and Ba/Si(100)(2 x 3) Reconstructions

    Ingår i The Journal of Physical Chemistry C, s. 1894-1902, 2014.

  • Wojek, B. M.; Dziawa, P.; Kowalski, B. J.; Szczerbakow, A. et al.

    Band inversion and the topological phase transition in (Pb,Sn)Se

    Ingår i Physical Review B. Condensed Matter and Materials Physics, s. 161202-, 2014.

  • Shibuya, Taizo; Yasuoka, Kenji; Mirbt, Susanne; Sanyal, Biplab et al.

    Bipolaron Formation Induced by Oxygen Vacancy at Rutile TiO2(110) Surfaces

    Ingår i The Journal of Physical Chemistry C, s. 9429-9435, 2014.

  • Johansson, Borje; Luo, Wei; Li, Sa; Ahuja, Rajeev et al.

    Cerium; Crystal Structure and Position in The Periodic Table

    Ingår i Scientific Reports, s. 6398-, 2014.

  • Black-Schaffer, Annica M.; Honerkamp, Carsten

    Chiral d-wave superconductivity in doped graphene

    Ingår i Journal of Physics, s. 423201-, 2014.

  • Black-Schaffer, Annica M.; Wu, Wei; Le Hur, Karyn

    Chiral d-wave superconductivity on the honeycomb lattice close to the Mott state

    Ingår i Physical Review B. Condensed Matter and Materials Physics, s. 054521-, 2014.

  • Tolstikhina, Inga Yu; Litsarev, M. S.; Kato, D.; Song, M-Y et al.

    Collisions of Be, Fe, Mo and W atoms and ions with hydrogen isotopes: electron capture and electron loss cross sections

    Ingår i Journal of Physics B, s. 035206-, 2014.

  • Li, Yunguo; Ahuja, Rajeev; Larsson, J. Andreas

    Communication: Origin of the difference between carbon nanotube armchair and zigzag ends

    Ingår i Journal of Chemical Physics, s. 091102-, 2014.

  • Luder, Johann; Sanyal, Biplab; Eriksson, Olle; Puglia, Carla et al.

    Comparison of van der Waals corrected and sparse-matter density functionals for the metal-free phthalocyanine/gold interface

    Ingår i Physical Review B. Condensed Matter and Materials Physics, s. 045416-, 2014.

  • Saha-Dasgupta, Tanusri; Oppeneer, Peter M.

    Computational design of magnetic metal-organic complexes and coordination polymers with spin-switchable functionalities

    Ingår i MRS bulletin, s. 614-620, 2014.

  • Emanuelsson, Rikard; Löfås, Henrik; Wallner, Andreas; Nauroozi, Djawed et al.

    Configuration- and Conformation-Dependent Electronic Structure Variations in 1,4-Disubstituted Cyclohexanes Enabled by a Carbon-to-Silicon Exchange

    Ingår i Chemistry - A European Journal, s. 9304-9311, 2014.

  • Corkhill, Claire L.; Myllykyla, Emmi; Bailey, Daniel J.; Thornber, Stephanie M. et al.

    Contribution of Energetically Reactive Surface Features to the Dissolution of CeO2 and ThO2 Analogues for Spent Nuclear Fuel Microstructures

    Ingår i ACS Applied Materials and Interfaces, s. 12279-12289, 2014.

  • Panigrahi, Puspamitra; Araujo, Carlos Moyses Graca; Hussain, Tanveer; Ahuja, Rajeev et al.

    Crafting ferromagnetism in Mn-doped MgO surfaces with p-type defects

    Ingår i Science and Technology of Advanced Materials, s. 035008-, 2014.

  • Levamaki, H.; Nagy, A.; Kokko, K.; Vitos, Levente et al.

    Cusp relation for the Pauli potential

    Ingår i Physical Review A. Atomic, Molecular, and Optical Physics, s. 062515-, 2014.

  • Löthman, Tomas; Black-Schaffer, Annica M.

    Defects in the d+id-wave superconducting state in heavily doped graphene

    Ingår i Physical Review B. Condensed Matter and Materials Physics, 2014.

  • Liao, Jiamin; Sa, Baisheng; Zhou, Jian; Ahuja, Rajeev et al.

    Design of High-Efficiency Visible-Light Photocatalysts for Water Splitting: MoS2/AlN(GaN) Heterostructures

    Ingår i The Journal of Physical Chemistry C, s. 17594-17599, 2014.

  • Borlenghi, Simone; Wang, Weiwei; Fangohr, Hans; Bergqvist, Lars et al.

    Designing a Spin-Seebeck Diode

    Ingår i Physical Review Letters, s. 047203-, 2014.

  • Mertins, Hans-Christoph; Legut, Dominik; Tesch, Marc; Jansing, Christine et al.

    Detection of the Magnetocrystalline Anisotropy in X-Ray Magnetic Linear Dichroism Reflection Spectra Across the Fe 3p and 2p Edges

    Ingår i IEEE transactions on magnetics, 2014.

  • Benhouria, Y.; Essaoudi, I.; Ainane, Abdelmajid; Ahuja, Rajeev et al.

    Dielectric Properties and Hysteresis Loops of a Ferroelectric Nanoparticle System Described by the Transverse Ising Model

    Ingår i Journal of Superconductivity and Novel Magnetism, s. 2153-2162, 2014.

  • Nordlund, Michael; Sumanta, Bhandary; Sanyal, Biplab; Löfqvist, Trobjörn et al.

    Dip Deposition of Few-Layer Graphene on PVDF Substrate

    2014.

  • Wehling, T. O.; Black-Schaffer, Annica M.; Balatsky, A. V.

    Dirac materials

    Ingår i Advances in Physics, s. 1-76, 2014.

  • Araujo, Carlos Moyses; Nagar, Sandeep; Ramzan, Muhammad; Shukla, R. et al.

    Disorder-induced Room Temperature Ferromagnetism in Glassy Chromites

    Ingår i Scientific Reports, s. 4686-, 2014.

  • Thersleff, Thomas; Rusz, Jan; Rubino, Stefano; Hjörvarsson, Björgvin et al.

    Distinguishing overlapping EMCD signals on oxidized metals in the TEM

    2014.

  • Punkkinen, M. P. J.; Laukkanen, P.; Kuzmin, M.; Levamaki, H. et al.

    Does Bi form clusters in GaAs1-xBix alloys?

    Ingår i Semiconductor Science and Technology, s. 115007-, 2014.

  • Li, Yunguo; Li, Yan-Ling; Sun, Weiwei; Ahuja, Rajeev et al.

    Dynamic stability of the single-layer transition metal dichalcogenides

    Ingår i Computational materials science, s. 206-212, 2014.

  • Ghosh, Tanmoy; Jena, Ambika Prasad; Sanyal, Biplab; Sonomura, Hirosuke et al.

    Effect of short range ordering on the magnetism in disordered Fe:Al alloy

    Ingår i Journal of Alloys and Compounds, s. 306-311, 2014.