Publications

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

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

    Part of Geothermics, p. 1-8, 2019.

  • Wani, Ishtiaq Hassan; Jafri, Syed Hassan Mujtaba; Wärnå, John; Hayat, Aqib et al.

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

    Part of Nanoscale, p. 6571-6575, 2019.

    Open access
  • Qian, Zhao; Zhang, Hongni; Jiang, Guanzhong; Bai, Yanwen et al.

    Ab Initio Screening of Doped Mg(AlH4)(2) Systems for Conversion-Type Lithium Storage

    Part of Materials, 2019.

    Open access
  • Khossossi, Nabil; Banerjee, Amitava; Benhouria, Younes; Essaoudi, Ismail et al.

    Ab initio study of a 2D h-BAs monolayer: a promising anode material for alkali-metal ion batteries

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 18328-18337, 2019.

  • Poonia, Ekta; Mishra, Prashant Kumar; Kiran, Vijay; Sangwan, Jasbir et al.

    Aero-gel based CeO2 nanoparticles: synthesis, structural properties and detailed humidity sensing response

    Part of Journal of Materials Chemistry C, p. 5477-5487, 2019.

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

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

    Part of Computational materials science, p. 121-128, 2019.

  • Albaalbaky, Ahmed; Kvashnin, Yaroslav; Patte, Renaud; Ledue, Denis

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

    Part of Physical Review B, 2019.

  • Moberg, Simon

    Artificial photosynthesis - 4-Aminobenzoic acids effect on charge transfer in a photo catalytic system

    2019.

    Open access
  • Ebadi, Mahsa; Marchiori, Cleber; Mindemark, Jonas; Brandell, Daniel et al.

    Assessing structure and stability of polymer/lithium-metal interfaces from first-principles calculations

    Part of Journal of Materials Chemistry A, p. 8394-8404, 2019.

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

    Atomic photoionization cross sections beyond the electric dipole approximation

    Part of Journal of Chemical Physics, 2019.

  • Tao, Quanzheng; Lu, Jun; Dahlqvist, Martin; Mockute, Aurelija et al.

    Atomically Layered and Ordered Rare-Earth i-MAX Phases: A New Class of Magnetic Quaternary Compounds

    Part of Chemistry of Materials, p. 2476-2485, 2019.

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

    Atomically Thin Metal Films on Foreign Substrates: From Lattice Mismatch to Electrocatalytic Activity

    Part of ACS Catalysis, p. 3467-3481, 2019.

  • Qian, Zhao; Jiang, Guanzhong; Ren, Yingying; Nie, Xi et al.

    Atomistic Modeling of Various Doped Mg2NiH4 as Conversion Electrode Materials for Lithium Storage

    Part of Crystals, 2019.

    Open access
  • Bylin, Johan

    Best practice of extracting magnetocaloric properties in magnetic simulations

    2019.

    Open access
  • 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

    Part of Physica. B, Condensed matter, p. 23-28, 2019.

  • Ivanov, Sergey; Beran, Premysl; Bush, Alexandr A.; Sarkar, Tapati et al.

    Cation ordering, ferrimagnetism and ferroelectric relaxor behavior in Pb(Fe1-xScx)(2/3)W1/3O3 solid solutions

    Part of European Physical Journal B, 2019.

    Open access
  • Johansson, Malin B; Philippe, Bertrand; Banerjee, Amitava; Phuyal, Dibya et al.

    Cesium Bismuth Iodide Solar Cells from Systematic Molar Ratio Variation of CsI and BiI3

    Part of Inorganic Chemistry, p. 12040-12052, 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

    Part of 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

    Part of Journal of Magnetism and Magnetic Materials, p. 44-53, 2019.

  • Shukla, Vivekanand

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

    Open access
  • Bashir, Amna; Lew, Jia Haur; Shukla, Sudhanshu; Gupta, Disha et al.

    Cu-doped nickel oxide interface layer with nanoscale thickness for efficient and highly stable printable carbon-based perovskite solar cell

    Part of Solar Energy, p. 225-236, 2019.

  • Nieves, P.; Arapan, S.; Maudes-Raedo, J.; Marticorena-Sanchez, R. et al.

    Database of novel magnetic materials for high-performance permanent magnet development

    Part of Computational materials science, p. 188-202, 2019.

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

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

    Part of Journal of Physics, 2019.

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

    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

    Part of Nano Energy, p. 123-134, 2019.

  • Watcharatharapong, Teeraphat

    Defect Thermodynamics and Kinetics in Polyanionic Cathodes: A Theoretical Roadmap for Na-ion based Batteries and Hybrid Supercapacitors

    Open access
  • Rahmani, Neda; Ghazi, M. E.; Izadifard, Morteza; Wang, Duo et al.

    Density functional study of structural, electronic and magnetic properties of new half-metallic ferromagnetic double perovskite Sr2MnVO6

    Part of Journal of Physics, 2019.

  • Tian, Li-Yun; Levamaki, Henrik; Eriksson, Olle; Kokko, Kalevi et al.

    Density Functional Theory description of the order-disorder transformation in Fe-Ni

    Part of Scientific Reports, 2019.

    Open access
  • Aydin, Alhun; Oikonomou, Thomas; Bagci, Gokhan Baris; Sisman, Altug

    Discrete and Weyl density of states for photonic dispersion relation

    Part of Physica Scripta, 2019.

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

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

    Part of Physica. E, Low-Dimensional systems and nanostructures, p. 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

    Part of Physica. E, Low-Dimensional systems and nanostructures, p. 139-145, 2019.

  • Kamar, Naushad Ahmad; Kantian, Adrian; Giamarchi, Thierry

    Dynamics of a mobile impurity in a two-leg bosonic ladder

    Part of Physical Review A: covering atomic, molecular, and optical physics and quantum information, 2019.

  • Hammar, Henning

    Dynamics of Magnetic Molecules under Electrical Control

    Open access
  • Molnar, David; Sun, Xun; Lu, Song; Li, Wei et al.

    Effect of temperature on the stacking fault energy and deformation behaviour in 316L austenitic stainless steel

    Part of Materials Science & Engineering, p. 490-497, 2019.

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

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

    Part of Applied Energy, p. 163-170, 2019.

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

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

    Part of Computational materials science, p. 273-280, 2019.

  • Tien, Nguyen Thanh; Thao, Pham Thi Bich; Phuc, Vo Trung; Ahuja, Rajeev

    Electronic and transport features of sawtooth penta-graphene nanoribbons via substitutional doping

    Part of Physica. E, Low-Dimensional systems and nanostructures, 2019.

  • Nilsson, Carolina

    Elektrisk styrning av mekaniska vibrationer

    2019.

    Open access
  • Akansel, Serkan; Kumar, Ankit; Venugopal, Vijayaharan A.; Esteban-Puyuelo, Raquel et al.

    Enhanced Gilbert damping in Re-doped FeCo films: Combined experimental and theoretical study

    Part of Physical Review B, 2019.

  • Ramberg, Nicklas; Sjöqvist, Erik

    Environment-assisted holonomic quantum maps

    Part of 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

    Part of Journal of Physical Chemistry Letters, p. 911-917, 2019.

  • Molnar, David; Engberg, Goran; Li, Wei; Lu, Song et al.

    Experimental study of the gamma-surface of austenitic stainless steels

    Part of Acta Materialia, p. 34-43, 2019.

  • Grånäs, Oscar; Timneanu, Nicusor; Eliah Dawod, Ibrahim; Ragazzon, Davide et al.

    Femtosecond bond breaking and charge dynamics in ultracharged amino acids

    Part of Journal of Chemical Physics, 2019.

  • Dong, Zhihua; Vitos, Levente

    Finite temperature magnetic properties of CrxCoyNi100-x-y medium entropy alloys from first principles

    Part of Scripta Materialia, p. 78-82, 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

    Part of Computational materials science, p. 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

    Part of 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

    Part of Acta Materialia, p. 215-227, 2019.

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

    Functionalization and Defect-Driven Water Splitting Mechanism on a Quasi-Two-Dimensional TiO2 Hexagonal Nanosheet

    Part of ACS APPLIED ENERGY MATERIALS, p. 5074 5074-5082 5082, 2019.

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

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

    Part of 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

    Part of Physical Review B, 2019.

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

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

    Part of Journal of Physics, 2019.

    Open access
  • Sjöqvist, Erik

    Geometry along Evolution of Mixed Quantum States

    2019.

  • Bovornratanaraks, Thiti; Tsuppayakorn-aek, Prutthipong; Luo, Wei; Ahuja, Rajeev

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

    Part of 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

    Part of Journal of Magnetism and Magnetic Materials, p. 220-225, 2019.

  • Das, Arkaprava; Saini, C. P.; Singh, D.; Ahuja, Rajeev et al.

    High temperature-mediated rocksalt to wurtzite phase transformation in cadmium oxide nanosheets and its theoretical evidence

    Part of Nanoscale, p. 14802-14819, 2019.

  • Pakeetood, Patompob; Reunchan, Pakpoom; Boonchun, Adisak; Limpijumnong, Sukit et al.

    Hybrid-Functional Study of Native Defects and W/Mo-Doped in Monoclinic-Bismuth Vanadate

    Part of The Journal of Physical Chemistry C, p. 14508-14516, 2019.

  • Pavliuk, Mariia V.; Alvarez, Sol Gutierrez; Hattori, Yocefu; Messing, Maria E. et al.

    Hydrated Electron Generation by Excitation of Copper Localized Surface Plasmon Resonance

    Part of Journal of Physical Chemistry Letters, p. 1743-1749, 2019.

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

    Hydrogen-Induced High-Temperature Superconductivity in Two-Dimensional Materials: The Example of Hydrogenated Monolayer MgB2

    Part of Physical Review Letters, 2019.

    Open access
  • 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

    Part of Physical Review B, 2019.

  • de Castro Portugal, Pedro Vinicius

    Implementing a One Qubit Holonomic Quantum Gate in aBosonic Environment

    2019.

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

    Increased performance of Matsubara space calculations: A case study within Eliashberg theory

    Part of Physical Review B, 2019.

  • Arapan, S.; Nieves, P.; Cuesta-Lopez, S.; Gusenbauer, M. et al.

    Influence of antiphase boundary of the MnAl tau-phase on the energy product

    Part of PHYSICAL REVIEW MATERIALS, 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

    Part of Scripta Materialia, p. 126-130, 2019.

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

    Influence of Mn content on the intrinsic energy barriers of paramagnetic FeMn alloys from longitudinal spin fluctuation theory

    Part of International journal of plasticity, p. 123-139, 2019.

  • Zeiger, Paul Michel

    Influence of non-dipole trnasitions on the extraction of EMCD

    2019.

    Open access
  • Kansara, Shivam; Gupta, Sanjeev K.; Sonvane, Yogesh; Pajtler, Maja Varga et al.

    Inquisitive Geometric Sites in h-BN Monolayer for Alkali Earth Metal Ion Batteries

    Part of The Journal of Physical Chemistry C, p. 19340-19346, 2019.

  • 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

    Part of The Journal of Physical Chemistry C, p. 347-355, 2019.

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

    Interfacial Spin Manipulation of Nickel-Quinonoid Complex Adsorbed on Co(001) Substrate

    Part of MAGNETOCHEMISTRY, 2019.

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

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

    Part of Journal of Alloys and Compounds, p. 969-974, 2019.

  • Anikina, Ekaterina; Banerjee, Amitava; Beskachko, Valery; Ahuja, Rajeev

    Li-Functionalized Carbon Nanotubes for Hydrogen Storage: Importance of Size Effects

    Part of ACS APPLIED NANO MATERIALS, p. 3021 3021-3030 3030, 2019.

  • Brumboiu, Iulia Emilia; Haldar, Soumyajyoti; Lüder, Johann; Eriksson, Olle et al.

    Ligand effects on the linear response Hubbard U: The case of transition metal phthalocyanines

    Part of Journal of Physical Chemistry A, p. 3214-3222, 2019.

  • de Amorim Lima, Nayane Maria; Camargo Avila, Harold Jose; Marchiori, Cleber; Sampaio, Samuel Gondim et al.

    Light-Emitting Porphyrin Derivative Obtained from a Subproduct of the Cashew Nut Shell Liquid: A Promising Material for OLED Applications

    Part of Materials, 2019.

    Open access
  • Bera, Suman; Ghosh, Dibyendu; Dutta, Anirban; Bhattacharyya, Sayan et al.

    Limiting Heterovalent B-Site Doping in CsPbI3 Nanocrystals: Phase and Optical Stability

    Part of ACS ENERGY LETTERS, p. 1364 1364-1369 1369, 2019.

  • Chafai, A.; Essaoudi, I.; Ainane, A.; Ahuja, Rajeev

    Linear and nonlinear optical properties of donors inside a CdSe/ZnTe core/shell nanodot: Role of size modulation

    Part of RESULTS IN PHYSICS, 2019.

    Open access
  • Cedervall, Johan; Andersson, Mikael Svante; Iusan, Diana; Delczeg-Czirjak, Erna Krisztina et al.

    Magnetic and mechanical effects of Mn substitutions in AlFe2B2

    Part of Journal of Magnetism and Magnetic Materials, p. 54-60, 2019.

  • Frisk, Andreas; Ahlberg, Martina; Muscas, Giuseppe; George, Sebastian et al.

    Magnetic and structural characterization of CoFeZr thin films grown by combinatorial sputtering

    Part of Physical Review Materials, 2019.

  • Cedervall, Johan; Andersson, Martin; Delczeg-Czirjak, Erna Krisztina; Iusan, Diana et al.

    Magnetocaloric effect in Fe2P: Magnetic and phonon degrees of freedom

    Part of Physical Review B, 2019.

  • Willems, F.; Sharma, S.; Schmising, C. von Korff; Dewhurst, J. K. et al.

    Magneto-Optical Functions at the 3p Resonances of Fe, Co, and Ni: Ab initio Description and Experiment

    Part of Physical Review Letters, 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

    Part of 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

    Part of Physical Review B, 2019.

  • Watcharatharapong, Teeraphat; Chakraborty, Sudip; Ahuja, Rajeev

    Mapping Sodium Intercalation Mechanism, Electrochemical Properties and Structural Evolution in Non-stoichiometric Alluaudite Na2+2δFe2-δ(SO4)3 Cathode Materials

    Part of Journal of Materials Chemistry A, p. 17446-17455, 2019.

  • 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

    Part of Journal of Magnetism and Magnetic Materials, p. 591 591-598 598, 2019.

  • Maldonado, Pablo; Kvashnin, Yaroslav

    Microscopic theory of ultrafast out-of-equilibrium magnon-phonon dynamics in insulators

    Part of Physical Review B, 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

    Part of Nano Energy, p. 877-885, 2019.

  • Arruda, Lucas M.; Ali, Md. Ehesan; Bernien, Matthias; Nickel, Fabian et al.

    Modifying the Magnetic Anisotropy of an Iron Porphyrin Molecule by an on-Surface Ring-Closure Reaction

    Part of The Journal of Physical Chemistry C, p. 14547-14555, 2019.

  • Bondarenko, Nina G.; Eriksson, Olle; Skorodumova, Natalia V.; Pereiro, Manuel

    Multi-polaron solutions, nonlocal effects and internal modes in a nonlinear chain

    Part of Journal of physics: Condensed matter, 2019.

    Open access
  • Zhang, Pan; Xia, Min; Zhuge, Fuwei; Zhou, Yue et al.

    Nanochannel-Based Transport in an Interfacial Memristor Can Emulate the Analog Weight Modulation of Synapses

    Part of Nano letters (Print), p. 4279-4286, 2019.

  • Keller, Mark W.; Gerace, Katy S.; Arora, Monika; Delczeg-Czirjak, Erna Krisztina et al.

    Near-unity spin Hall ratio in NixCu1-x alloys

    Part of Physical Review B, 2019.

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

    Odd-frequency pairing in a superconductor coupled to two parallel nanowires

    Part of Physical Review B, 2019.

  • Damas, Giane B.; Miranda, Caetano; Sgarbi, Ricardo; Portela, James et al.

    On the Mechanism of Carbon Dioxide Reduction on Sn-Based Electrodes: Insights into the Role of Oxide Surfaces

    Part of Catalysts, 2019.

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

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

    Part of Physical Review B, 2019.

  • Pal, Somnath; Jana, Somnath; Govinda, Sharada; Pal, Banabir et al.

    Peculiar magnetic states in the double perovskite Nd2NiMnO6

    Part of Physical Review B, 2019.

  • Minakshi, Manickam; Mitchell, David R. G.; Baur, Christian; Chable, Johann et al.

    Phase evolution in calcium molybdate nanoparticles as a function of synthesis temperature and its electrochemical effect on energy storage

    Part of NANOSCALE ADVANCES, p. 565 565-580 580, 2019.

    Open access
  • 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

    Part of The Journal of Physical Chemistry C, p. 4691-4700, 2019.

  • Liu, Lei; Huang, Shuo; Vitos, Levente; Dong, Minjie et al.

    Pressure-induced magnetovolume effect in CoCrFeAl high-entropy alloy

    Part of Communications Physics, 2019.

    Open access
  • Abdel-Hafiez, Mahmoud; Thiyagarajan, R.; Majumdar, Arnab; Ahuja, Rajeev et al.

    Pressure-induced reentrant transition in NbS3 phases: Combined Raman scattering and x-ray diffraction study

    Part of Physical Review B, 2019.

  • Rodrigues Alves, Kaue

    Probing odd-frequency superconductivity via thermoelectricity in a ferromagnet-superconductor junction

    2019.

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

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

    Part of Physical Review Letters, 2019.

  • Edstrom, Alexander; Lubk, Axel; Rusz, Jan

    Quantum mechanical treatment of atomic-resolution differential phase contrast imaging of magnetic materials

    Part of Physical Review B, 2019.

  • Xie, Ruiwen; Lizarraga, Raquel; Linder, David; Hou, Ziyong et al.

    Quantum mechanics basis of quality control in hard metals

    Part of Acta Materialia, p. 1-8, 2019.

  • Aydin, Alhun; Sisman, Altug

    Quantum shape effects and novel thermodynamic behaviors at nanoscale

    Part of Physics Letters A, p. 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

    Part of Zhongguó wùli xuékan, p. 189-194, 2019.

  • Metsanurk, Erki; Klintenberg, Mattias

    Sampling-dependent systematic errors in effective harmonic models

    Part of Physical Review B, 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

    Part of Physical Review B, 2019.

  • Martins, Ernane de Freitas; Feliciano, Gustavo Troiano; Scheicher, Ralph H.; Rocha, Alexandre Reily

    Simulating DNA Chip Design Using All-Electronic Graphene-Based Substrates

    Part of Molecules, 2019.

    Open access
  • Löfgren, André

    Simulations of the inuence of atomic vibrations on the magneticsignal observed in scattering of electron vortex beams on bcc ironcrystal

    2019.

    Open access
  • Saak, Clara-Magdalena; Unger, Isaak; Brena, Barbara; Caleman, Carl et al.

    Site-specific X-ray induced dynamics in liquid methanol

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 15478-15486, 2019.

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

    Skyrmion lifetime in ultrathin films

    Part of 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

    Part of Electrochimica Acta, p. 523-528, 2019.

  • Chatzigeorgiou, Evanthia; Århammar, Cecilia; Gråsjö, Johan; Ekholm, Victor et al.

    Soft X-ray Spectroscopy on  amorphous and crystalline magnesium carbonate

    Part of EUROMAT 2019, 2019.

  • Khan, Arshad; Liu, Mei; Usman, Rabia; He, Nongyue et al.

    Solid emission color tuning of organic charge transfer cocrystals based on planar π-conjugated donors and TCNB

    Part of Journal of Solid State Chemistry, p. 96-101, 2019.

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

    Spin-dependent heat signatures of single-molecule spin dynamics

    Part of Physical Review B, 2019.

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

    Stability and magnetism of FeN high-pressure phases

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 5262-5273, 2019.

  • Alekseev, A. Yu; Chernykh, A. G.; Filonov, A. B.; Migas, D. B. et al.

    Stability of 2D Alkaline-Earth Metal Silicides, Germanides and Stannides

    Part of International Journal of Nanoscience, 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

    Part of Diamond and related materials, p. 228-234, 2019.

  • Rudisch, Katharina; Espinosa-Garcia, William F.; Osorio-Guillen, Jorge M.; Araujo, Carlos Moyses et al.

    Structural and Electronic Properties of Cu2MnSnS4 from Experiment and First-Principles Calculations

    Part of Physica status solidi. B, Basic research, 2019.

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

    Supercurrent Detection of Topologically Trivial Zero-Energy States in Nanowire Junctions

    Part of Physical Review Letters, 2019.

    Open access
  • Huang, Shuo

    The chemical ordering and elasticity in FeCoNiAl1-xTix high-entropy alloys

    Part of Scripta Materialia, p. 5-9, 2019.

  • Alwan, Seif

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

    2019.

    Open access
  • Samuelsson, Niclas

    The Magnon-Phonon coupling from a microscopic perspective

    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

    Part of Superlattices and Microstructures, p. 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

    Part of Computational materials science, p. 140-148, 2019.

  • Aydin, Alhun; Fransson, Jonas; Sisman, Altug

    Thermosize voltage induced in a ballistic graphene nanoribbon junction

    Part of Journal of Applied Physics, 2019.

    Open access
  • Das, Tisita; Chakraborty, Sudip; Ahuja, Rajeev; Das, Gour P.

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

    Part of ChemPhysChem, p. 608-617, 2019.

  • Herper, Heike C.; Grünebohm, Anna

    Tuning the Magnetic Anisotropy of NiPtMnGa by Substitution and Epitaxial Strain

    Part of 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

    Part of Physical Review B, 2019.

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

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

    Part of The Journal of Physical Chemistry C, p. 5231-5239, 2019.

  • Langmann, Edwin; Triola, Christopher; Balatsky, Alexander V.

    Ubiquity of Superconducting Domes in the Bardeen-Cooper-Schrieffer Theory with Finite-Range Potentials

    Part of Physical Review Letters, 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

    Part of Science Advances, 2019.

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

    Ultrafast generation and dynamics of isolated skyrmions in antiferromagnetic insulators

    Part of Physical Review B, 2019.

  • Lattemann, Martina; Xie, Ruiwen; Lizarraga, Raquel; Vitos, Levente et al.

    Understanding Quality Control of Hard Metals in Industry - A Quantum Mechanics Approach

    Part of ADVANCED THEORY AND SIMULATIONS, 2019.

  • Kantian, Adrian; Dolfi, M.; Troyer, M.; Giamarchi, T.

    Understanding repulsively mediated superconductivity of correlated electrons via massively parallel density matrix renormalization group

    Part of Physical Review B, 2019.

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

    Unveiling the Interfacial Effects for Enhanced Hydrogen Evolution Reaction on MoS2/WTe2 Hybrid Structures

    Part of Small, 2019.

  • Wärnå, John

    Water Splitting Mechanism on 2D Catalytic Materials: DFT based Theoretical Investigations

    Open access
  • Pious, Johnpaul K.; Katre, Ankita; Muthu, Chinnadurai; Chakraborty, Sudip et al.

    Zero-Dimensional Lead-Free Hybrid Perovskite-like Material with a Quantum-Well Structure

    Part of Chemistry of Materials, p. 1941-1945, 2019.

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

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

    Part of Applied Physics Letters, 2018.

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

    5-Benzoyl triazole as new structural dimension in glycoconjugates

    Part of Carbohydrate Research, p. 23-30, 2018.

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

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

    Part of APL MATERIALS, 2018.

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

    A majority gate with chiral magnetic solitons

    Part of 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

    Part of Surface & Coatings Technology, p. 511-521, 2018.

  • Bouhou, Samira; El Hamri, Mariam; Essaoudi, Ismail; Ainane, Abdelmajid et al.

    A Theoretical Study of Hysteresis Behaviors of 2D Mixed Spin-(1/2,1)Ising Nanopaticles

    Part of 2018 6th International Renewable And Sustainable Energy Conference (IRSEC), p. 194-198, 2018.

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

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

    Part of Acta Materialia, p. 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

    Part of International journal of hydrogen energy, p. 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

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 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

    Part of Journal of Physical Chemistry B, p. 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

    Part of ACS Nano, p. 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

    Part of Sensors and actuators. B, Chemical, p. 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

    Part of 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

    Part of 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

    Part of Chemistry - An Asian Journal, p. 299-310, 2018.

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

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

    Part of Physical Review B, 2018.

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

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

    Part of Beilstein Journal of Nanotechnology, p. 1339-1357, 2018.

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

    Another view on Gilbert damping in two-dimensional ferromagnets

    Part of Scientific Reports, 2018.

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

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

    Part of Journal of Materials Research, p. 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

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 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

    Part of Applied Surface Science, p. 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

    Part of Nature Materials, p. 221-225, 2018.

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

    Beyond a phenomenological description of magnetostriction

    Part of 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

    Part of The Journal of Physical Chemistry C, p. 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

    Part of Ultramicroscopy, p. 129-135, 2018.

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

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

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 22008-22016, 2018.

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

    Bringing nanomagnetism to the mesoscale with artificial amorphous structures

    Part of 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

    Part of Nanoscale, p. 10050-10062, 2018.

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

    Characterization of density oscillations in confined and degenerate Fermi gases

    Part of Modern physics letters B, 2018.

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

    Charge transfer-tuned magnetism in Nd-substituted Gd5Si4

    Part of AIP Advances, 2018.

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

    Chemical Bonding of Unique CO on Fe(100)

    Part of The Journal of Physical Chemistry C, p. 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

    Part of Physical Review B, 2018.

  • Haldar, Soumyajyoti; Bhandary, Sumanta; Vovusha, Hakkim; Sanyal, Biplab

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

    Part of Physical Review B, 2018.

  • 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

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

    Part of RSC Advances, p. 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

    Part of JOM, p. 1037-1037, 2018.

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

    Correlated electronic structure with uncorrelated disorder

    Part of Physical Review B, 2018.

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

    Coupling atomistic and continuum modelling of magnetism

    Part of Computer Methods in Applied Mechanics and Engineering, p. 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

    Part of 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

    Part of Acta Materialia, p. 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

    Part of 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

    Part of 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

    Part of ACS SENSORS, p. 867 867-874 874, 2018.

  • Molnar, David; Engberg, Goran; Li, Wei; Vitos, Levente

    Deformation Properties of Austenitic Stainless Steels with Different Stacking Fault Energies

    Part of THERMEC 2018, p. 190-197, 2018.

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

    Density functional study of carbon vacancies in titanium carbide

    Part of Journal of Physics, 2018.

  • Samanta, Sudipta; Raghunathan, Devanathan; Mukherjee, Sanchita; Sanyal, Biplab

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

    Part of Journal of biological systems, p. 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

    Part of 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

    Part of 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

    Part of Science Advances, 2018.

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

    Distinct multiple fermionic states in a single topological metal

    Part of Nature Communications, 2018.

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

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

    Part of The European Physical Journal Plus, 2018.

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

    Dynamical Disentangling and Cooling of Atoms in Bilayer Optical Lattices

    Part of Physical Review Letters, 2018.

  • Hammar, Henning; Fransson, Jonas

    Dynamical exchange and phase induced switching of a localized molecular spin

    Part of 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)

    Part of ACS APPLIED ENERGY MATERIALS, p. 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

    Part of Applied Surface Science, p. 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

    Part of 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

    Part of 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?

    Part of ChemPhysChem, p. 2250-2257, 2018.

  • Zhang, Hualei; Sun, Xun; Lu, Song; Dong, Zhihua et al.

    Elastic properties of AlxCrMnFeCoNi (0 <= x <= 5) high-entropy alloys from ab initio theory

    Part of Acta Materialia, p. 12-22, 2018.

  • Huang, Shuo; Tian, Fuyang; Vitos, Levente

    Elasticity of high-entropy alloys from ab initio theory

    Part of Journal of Materials Research, p. 2938-2953, 2018.

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

    Electron transport in NH3/NO2 sensed buckled antimonene

    Part of Solid State Communications, p. 1-7, 2018.

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

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

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 20447-20458, 2018.

  • 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

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

    Part of Physical Review B, 2018.

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

    Electronically Mediated Magnetic Anisotropy in Vibrating Magnetic Molecules

    Part of ACS Omega, p. 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

    Part of 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

    Part of 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

    Part of Applied Surface Science, p. 467-473, 2018.

  • Azimi Mousolou, Vahid; Sjöqvist, Erik

    Entangling power of holonomic gates in atom-based systems

    Part of 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

    Part of Journal of Alloys and Compounds, p. 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

    Part of COMPUTATIONAL CONDENSED MATTER, 2018.

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

    Finite length effect on supercurrents between trivial and topological superconductors

    Part of The European Physical Journal Special Topics, p. 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

    Part of 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

    Part of Chemical Physics Letters, p. 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

    Part of Physical Review B, 2018.

  • Ouyang, Tianhong; Qian, Zhao; Ahuja, Rajeev; Liu, Xiangfa

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

    Part of Applied Surface Science, p. 196-201, 2018.

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

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

    Part of Scientific Reports, 2018.

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

    First-principles Theory of Magnetic Multipoles in Condensed Matter Systems

    Part of Journal of the Physical Society of Japan, 2018.

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

    Functional Dirac Materials: Status and Perspectives

    Part of 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

    Part of 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

    Part of Physical Review B, 2018.

  • Levamaki, Henrik; Tian, Liyun; Kokko, Kalevi; Vitos, Levente

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

    Part of 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

    Part of Nanotechnology, 2018.

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

    Half-metallicity and magnetism in the Co2MnAl/CoMnVAl heterostructure

    Part of 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

    Part of 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

    Part of Journal of Materials Chemistry C, p. 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

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 22168-22178, 2018.

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

    High entropy alloys: Substituting for cobalt in cutting edge technology

    Part of APPLIED MATERIALS TODAY, p. 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

    Part of Organic electronics, p. 33-37, 2018.

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

    High Tolerance of Double-Decker Phthalocyanine toward Molecular Oxygen

    Part of The Journal of Physical Chemistry C, p. 20244-20251, 2018.

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

    Humidity and CO2 gas sensing properties of double-layer graphene

    Part of Carbon, p. 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

    Part of Physica. E, Low-Dimensional systems and nanostructures, p. 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

    Part of Physica A, p. 499-506, 2018.

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

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

    Part of Nano Energy, p. 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

    Part of Nano Energy, p. 287-297, 2018.

  • Saraf, Deepashri; Chakraborty, Sudip; Kshirsagar, Anjali; Ahuja, Rajeev

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

    Part of Nano Energy, p. 283-289, 2018.

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

    Influence of cobalt substitution on the magnetic properties of Fe5PB2

    Part of Inorganic Chemistry, p. 777-784, 2018.

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

    Influence of Humidity on Contact Resistance in Graphene Devices

    Part of ACS Applied Materials and Interfaces, p. 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

    Part of Crystal Growth & Design, p. 6001-6008, 2018.

  • Chanda, Debabrata; Dobrota, Ana S.; Hnat, Jaromir; Sofer, Zdenek et al.

    Investigation of electrocatalytic activity on a N-doped reduced graphene oxide surface for the oxygen reduction reaction in an alkaline medium

    Part of International journal of hydrogen energy, p. 12129-12139, 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

    Part of 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

    Part of ACS APPLIED ENERGY MATERIALS, p. 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

    Part of Computation, 2018.

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

    Kullback-Leibler and relative Fisher information as descriptors of locality

    Part of 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

    Part of Physical Review Letters, 2018.

  • Schonecker, Stephan; Li, Xiaoqing; Richter, Manuel; Vitos, Levente

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

    Part of 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

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 1524-1530, 2018.

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

    Lifetime of racetrack skyrmions

    Part of 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

    Part of Nanotechnology, 2018.

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

    Local low rank denoising for enhanced atomic resolution imaging

    Part of Ultramicroscopy, p. 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

    Part of 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

    Part of The Journal of Physical Chemistry C, p. 17706-17717, 2018.

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

    Magnetic anisotropy in permalloy: hidden quantum mechanical features

    Part of 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

    Part of Physical Review B, 2018.

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

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

    Part of 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

    Part of Physical Review Materials, 2018.

  • 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

    Part of 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

    Part of Physica A, p. 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

    Part of Journal of Magnetism and Magnetic Materials, p. 420-429, 2018.

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

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

    Part of ACS APPLIED ENERGY MATERIALS, p. 3342 3342-3350 3350, 2018.

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

    Mapping deformation mechanisms in lamellar titanium aluminide

    Part of Acta Materialia, p. 835-843, 2018.

  • Huang, Shuo; Holmstrom, Erik; Eriksson, Olle; Vitos, Levente

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

    Part of Intermetallics (Barking), p. 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

    Part of Acta Materialia, p. 853-861, 2018.

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

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

    Part of Materials Chemistry and Physics, p. 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

    Part of Physica. E, Low-Dimensional systems and nanostructures, p. 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

    Part of ACS Catalysis, p. 6636-6644, 2018.

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

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

    Part of Nano Reseach, p. 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

    Part of 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

    Part of 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

    Part of Physical Review B. Condensed Matter and Materials Physics, 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

    Part of Journal of Power Sources, p. 221-228, 2018.

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

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

    Part of 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

    Part of The Journal of Physical Chemistry C, p. 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

    Part of The Journal of Physical Chemistry C, p. 26480-26488, 2018.

  • Herper, Heike C.

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

    Part of Physical Review B, 2018.

  • Shiranzaei, Mahroo; Fransson, Jonas; Cheraghchi, Hosein; Parhizgar, Fariborz

    Nonlinear spin susceptibility in topological insulators

    Part of Physical Review B, 2018.

  • Thonig, Danny; Kvashnin, Yaroslav; Eriksson, Olle; Pereiro, Manuel

    Nonlocal Gilbert damping tensor within the torque-torque correlation model

    Part of 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

    Part of The Journal of Physical Chemistry C, p. 5796-5804, 2018.

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

    Observation of gapless Dirac surface states in ZrGeTe

    Part of Physical Review B, 2018.

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

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

    Part of Physical Review B, 2018.

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

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

    Part of 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

    Part of The Journal of Physical Chemistry C, p. 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

    Part of Journal of Physical Chemistry B, p. 1846-1851, 2018.

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

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

    Part of SPINTRONICS XI, 2018.

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

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

    Part of Journal of the Korean Physical Society, p. 737-740, 2018.

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

    Path-shortening realizations of nonadiabatic holonomic gates

    Part of 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

    Part of 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

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 11805-11818, 2018.

  • Huang, Shuo; Li, Wei; Holmström, Erik; Vitos, Levente

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

    Part of 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

    Part of International journal of plasticity, p. 43-53, 2018.

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

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

    Part of Physical Review B, 2018.

  • 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

    Part of Scientific Reports, 2018.

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

    Probing unconventional superconductivity in proximitized graphene by impurity scattering

    Part of Physical Review B, 2018.

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

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

    Part of Physical Review B, 2018.

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

    Publisher Correction: Beyond a phenomenological description of magnetostriction

    Part of 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

    Part of Journal of Magnetism and Magnetic Materials, p. 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

    Part of Surface Science, p. 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

    Part of Physica. E, Low-Dimensional systems and nanostructures, p. 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

    Part of 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

    Part of 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

    Part of 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

    Part of 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

    Part of Scientific Reports, 2018.

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

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

    Part of Journal of Magnetism and Magnetic Materials, p. 28-33, 2018.

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

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

    Part of ACS Applied Energy Materials, p. 3571 3571-3576 3576, 2018.

  • Eriksson, Olle

    Searching for materials with reduced dimension

    Part of Nature Nanotechnology, p. 180-181, 2018.

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

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

    Part of Physical Review B, 2018.

  • Pradhan, Saurabh; Fransson, Jonas

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

    Part of Physical Review B, 2018.

  • 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

    Part of 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

    Part of Journal of Materials Chemistry A, p. 16965-16974, 2018.

  • Michaud, Jérôme; Szilva, Attila

    Social influence with recurrent mobility and multiple options

    Part of 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

    Part of Beilstein Journal of Nanotechnology, p. 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

    Part of Chemistry - A European Journal, p. 14198-14206, 2018.

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

    Spin transport across antiferromagnets induced by the spin Seebeck effect

    Part of Journal of Physics D, 2018.

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

    Spontaneous surface flux pattern in chiral p-wave superconductors

    Part of Physical Review B, 2018.

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

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

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 22952-22960, 2018.

  • Huang, Shuo; Li, Wei; Holmstrom, Erik; Vitos, Levente

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

    Part of Physical Review Applied, 2018.

  • Belghit, R.; Belkhir, H.; Kadri, M. T.; Heciri, D. et al.

    Structural, elastic, electronic and optical properties of novel antiferroelectric KNaX (X = S, Se, and Te) compounds: First principles study

    Part of Physica. B, Condensed matter, p. 18-29, 2018.

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

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

    Part of 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)

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 12362-12367, 2018.

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

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

    Part of Applied Surface Science, p. 711-716, 2018.

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

    Suppression of the Verwey Transition by Charge Trapping

    Part of 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

    Part of The Journal of Physical Chemistry C, p. 10643-10649, 2018.

  • Kocevski, Vancho

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

    Part of 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

    Part of Physical Review B, 2018.

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

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

    Part of 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

    Part of Journal of Materials Chemistry A, p. 9498-9505, 2018.

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

    The High-Pressure Superconducting Phase of Arsenic

    Part of 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

    Part of 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

    Part of ENVIRONMENTAL SCIENCE-NANO, p. 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

    Part of Physica. B, Condensed matter, p. 82-86, 2018.

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

    The surface energy and stress of metals

    Part of Surface Science, p. 51-68, 2018.

  • 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

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 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

    Part of ChemPhysChem, p. 148-152, 2018.

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

    Theoretical Investigation of Metallic Nanolayers For Charge-Storage Applications

    Part of ACS APPLIED ENERGY MATERIALS, p. 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

    Part of Chemical Physics Letters, p. 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

    Part of Journal of Applied Physics, 2018.

  • 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

    Part of 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

    Part of The Journal of Physical Chemistry C, p. 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

    Part of Carbon, p. 803-808, 2018.

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

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

    Part of Physical Review B, 2018.

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

    Topological superconductivity in the extended Kitaev-Heisenberg model

    Part of Physical Review B, 2018.

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

    Towards ab initio Calculations with the Dynamical Vertex Approximation

    Part of 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

    Part of 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

    Part of NATURE ELECTRONICS, p. 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

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 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

    Part of AIP Advances, 2018.

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

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

    Part of 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

    Part of Applied Surface Science, p. 1158-1166, 2018.

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

    Twinning in metastable high-entropy alloys

    Part of 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

    Part of Physical Review B, 2018.

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

    Understanding the mechanical properties of reduced activation steels

    Part of Materials & design, p. 260-272, 2018.

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

    Unified theory of magnetization dynamics with relativistic and nonrelativistic spin torques

    Part of 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

    Part of 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

    Part of 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

    Part of Catalysis Science & Technology, p. 687-692, 2017.

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

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

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 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

    Part of Acta Materialia, p. 215-223, 2017.

  • Autieri, Carmine; Sanyal, Biplab

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

    Part of 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

    Part of Chemical Physics Letters, p. 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

    Part of Computer Physics Communications, p. 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

    Part of Materials & design, p. 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

    Part of 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

    Part of Energy & Environmental Science, p. 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

    Part of Nature Communications, 2017.

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

    Analysis of electron energy loss spectroscopy data using geometric extraction methods

    Part of Ultramicroscopy, p. 14-26, 2017.

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

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

    Part of Physical Review B, 2017.

  • Sun, Weiwei; Luo, Wei; Feng, Qingguo; Ahuja, Rajeev

    Anisotropic distortion and Lifshitz transition in alpha-Hf under pressure

    Part of 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

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 3307-3314, 2017.

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

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

    Part of Philosophical Magazine, p. 1243-1264, 2017.

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

    Atom size electron vortex beams with selectable orbital angular momentum

    Part of 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

    Part of Scientific Reports, 2017.

    Open access
  • 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

    Part of Physical Review Letters, 2017.

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

    Bifurcation in Quantum Measurement

    2017.

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

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

    Part of ACS Applied Materials and Interfaces, p. 16148-16158, 2017.

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

    Breakdown of Polarons in Conducting Polymers at Device Field Strengths

    Part of The Journal of Physical Chemistry C, p. 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

    Part of Journal of Materials Chemistry A, p. 18561-18568, 2017.

  • Spiegelberg, Jakob; Rusz, Jan

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

    Part of Ultramicroscopy, p. 40-46, 2017.

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

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

    Part of Carbon, p. 285-290, 2017.

  • Hertting, Nils; Ottosson, Henrik

    Case Uppsala, Campus Polacksbacken:  Location, surrounding, stakeholders

    Part of Dreams and Seeds. The Role of Campuses and Sustainable Urban Development, p. 51-55, 2017.

  • Jaramillo, Juan David Vasquez; Fransson, Jonas

    Charge Transport and Entropy Production Rate in Magnetically Active Molecular Dimer

    Part of The Journal of Physical Chemistry C, p. 27357-27368, 2017.

  • Liu, Yuhang

    Chromium Cluster on Defected Graphene

    2017.

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

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

    Part of 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

    Part of PHYSICAL REVIEW MATERIALS, 2017.

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

    Composite nonadiabatic holonomic quantum computation

    Part of 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

    Part of The Journal of Physical Chemistry C, p. 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

    Part of The Journal of Physical Chemistry C, p. 26372-26378, 2017.

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

    Covalent Functionalization by Cycloaddition Reactions of Pristine Defect-Free Graphene

    Part of ACS Nano, p. 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

    Part of Computational materials science, p. 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

    Part of Solid State Communications, p. 38-41, 2017.

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

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

    Part of 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

    Part of Surface Science, p. 23-30, 2017.

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

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

    Part of The Journal of Physical Chemistry C, p. 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

    Part of 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

    Part of Journal of Materials Chemistry A, p. 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

    Part of 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

    Part of RSC Advances, p. 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

    Part of 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

    Part of Physical Review B, 2017.

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

    Distinguishing attosecond electron-electron scattering and screening in transition metals

    Part of Proceedings of the National Academy of Sciences of the United States of America, p. 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

    Part of The Journal of Physical Chemistry C, p. 14027-14036, 2017.

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

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

    Part of 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

    Part of ACS Applied Materials and Interfaces, p. 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

    Part of 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

    Part of Physical Review B, 2017.

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

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

    Part of Nanoscale, p. 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

    Part of Nanoscale, p. 6703-6710, 2017.

    Open access
  • 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

    Part of 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

    Part of Journal of Physics, 2017.

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

    Electronic structure of (Ga, Mn) As revisited

    Part of 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

    Part of Inorganic Chemistry, p. 5918-5929, 2017.

  • 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

    Part of Ionics (Kiel), p. 1645-1653, 2017.

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

    Enhanced skyrmion stability due to exchange frustration

    Part of 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

    Part of Journal of Physics, 2017.

  • Borlenghi, Simone; Iubini, Stefano; Lepri, Stefano; Fransson, Jonas

    Entropy production for complex Langevin equations

    Part of Physical review. E, 2017.

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

    Evaluating the Sources of Graphene's Resistivity Using Differential Conductance

    Part of 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

    Part of 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

    Part of Journal of Materials Chemistry A, p. 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

    Part of 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

    Part of Materials Chemistry and Physics, p. 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

    Part of Physical Review B Condensed Matter, 2017.

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

    Exploring Doping Characteristics of Various Adatoms on Single-Layer Stanene

    Part of The Journal of Physical Chemistry C, p. 7667-7676, 2017.

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

    Extended spin model in atomistic simulations of alloys

    Part of 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

    Part of Scientific Reports, 2017.

    Open access
  • Li, Xiaoqing; Schönecker, Stephan

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

    Part of Acta Materialia, p. 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)

    Part of 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

    Part of 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

    Part of 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

    Part of Physical Review B, 2017.

  • Rusz, Jan; Lubk, Axel; Spiegelberg, Jakob; Tyutyunnikov, Dmitry

    Fully nonlocal inelastic scattering computations for spectroscopical transmission electron microscopy methods

    Part of 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

    Part of Electrochimica Acta, p. 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

    Part of Philosophical Magazine, p. 3381-3395, 2017.

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

    Generation of single skyrmions by picosecond magnetic field pulses

    Part of Physical Review B, 2017.

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

    Global band topology of simple and double Dirac-point semimetals

    Part of 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

    Part of RSC Advances, p. 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

    Part of 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

    Part of ChemPhysChem, p. 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

    Part of Nano Energy, p. 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

    Part of Nano Energy, p. 570 570-577 577, 2017.

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

    High performance material for hydrogen storage: Graphenelike Si2BN solid

    Part of International journal of hydrogen energy, p. 22942-22952, 2017.

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

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

    Part of 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

    Part of Journal of Applied Physics, 2017.

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

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

    Part of MRS Advances, p. 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

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 13281-13293, 2017.

  • Fu, Jie; Li, Xiaoqing; Johansson, Börje; Zhao, Jijun

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

    Part of Journal of Alloys and Compounds, p. 369-375, 2017.

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

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

    Part of Scientific Reports, 2017.

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

    Impurity scattering on the surface of topological-insulator thin films

    Part of Physical Review B, 2017.

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

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

    Part of RSC Advances, p. 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

    Part of Applied Surface Science, p. 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

    Part of Journal of Solid State Chemistry, p. 97-104, 2017.

  • Sjöqvist, Erik

    Kvantdatorer - beräkningsmaskiner i landet annorlunda

    Part of Annales Academiae Regiae Scientarium Upsaliensis, p. 69-75, 2017.

  • Song, Hongquan; Tian, Fuyang; Hu, Qing-Miao; Vitos, Levente et al.

    Local lattice distortion in high-entropy alloys

    Part of 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

    Part of 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

    Part of 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

    Part of 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

    Part of Physica. B, Condensed matter, p. 51-60, 2017.

  • Thonig, Danny; Eriksson, Olle; Pereiro, Manuel

    Magnetic moment of inertia within the torque-torque correlation model

    Part of Scientific Reports, 2017.

    Open access
  • Li, Mingkai; Long, Debing; Ahuja, Rajeev; He, Yunbin

    Magnetic order and phase diagram of magnetic alloy system: MgxNi1-xO alloy

    Part of 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

    Part of INTERNATIONAL SYMPOSIUM ON CLUSTERS AND NANOMATERIALS, 2017.

  • Hedlund, Daniel; Cedervall, Johan; Edström, Alexander; Werwinski, Miroslaw et al.

    Magnetic properties of the Fe5SiB2−Fe5PB2 system

    Part of 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

    Part of 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

    Part of Physical review B, 2017.

  • Edström, Alexander

    Magnetocrystalline anisotropy of Laves phase Fe2Ta1-xWx from first principles: Effect of 3d-5d hybridization

    Part of 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

    Part of 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

    Part of 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

    Part of 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

    Part of 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

    Part of RSC Advances, p. 8598-8605, 2017.

    Open access
  • Oppeneer, Peter. M.

    Materials Optics: Lighting Up Antiferromagnets

    Part of Nature Photonics, p. 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

    Part of Journal of Materials Chemistry A, p. 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

    Part of Physical Review B, 2017.

  • Fransson, Jonas; Thonig, Danny; Bessarab, P. F.; Bhattacharjee, S. et al.

    Microscopic theory for coupled atomistic magnetization and lattice dynamics

    Part of Physical Review Materials, 2017.

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

    Modeling of Electronic Properties of Amorphous Oxides

    Part of Encyclopedia of Interfacial Chemistry, 2017.

  • Ebadi, Mahsa; Costa, Luciano T.; Araujo, C. Moyses; Brandell, Daniel

    Modelling the Polymer Electrolyte/Li-Metal Interface by Molecular Dynamics simulations

    Part of Electrochimica Acta, p. 43-51, 2017.

  • Rusz, Ján

    Modified automatic term selection v2: A faster algorithm to calculate inelastic scattering cross-sections

    Part of Ultramicroscopy, p. 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

    Part of Ferroelectrics (Print), p. 58-68, 2017.

  • Kuzmanovski, Dushko; Black-Schaffer, Annica M.

    Multiple odd-frequency superconducting states in buckled quantum spin Hall insulators with time-reversal symmetry

    Part of 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

    Part of Dalton Transactions, p. 55-63, 2017.

  • Liu, Zeliang; Li, Huijian; Fan, Changzeng; Luo, Wei

    Necessary and sufficient elastic stability conditions in 21 quasicrystal Laue classes

    Part of European journal of mechanics. A, Solids, p. 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

    Part of Physica Scripta, 2017.

    Open access
  • Kundu, Ashis; Ghosh, Srikrishna; Banerjee, Rudra; Ghosh, Subhradip et al.

    New quaternary half-metallic ferromagnets with large Curie temperatures

    Part of 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

    Part of Physical Review B, 2017.

  • Komendova, Lucia; Black-Schaffer, Annica M.

    Odd-Frequency Superconductivity in Sr2RuO4 Measured by Kerr Rotation

    Part of 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

    Part of 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

    Part of 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

    Part of 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

    Part of Langmuir, p. 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

    Part of 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

    Part of Journal of Alloys and Compounds, p. 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

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 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

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 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

    Part of Acta Materialia, p. 366-374, 2017.

  • Li, Chun-Mei; Johansson, Börje; Vitos, Levente

    Physical mechanism of delta-delta '-epsilon phase stability in plutonium

    Part of 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

    Part of Chemistry - An Asian Journal, p. 900-909, 2017.

  • Ghosh, Biplab; Chakraborty, Sudip; Wei, Hao; Guet, Claude et al.

    Poor Photovoltaic Performance of Cs3Bi2I9: An Insight through First-Principles Calculations

    Part of The Journal of Physical Chemistry C, p. 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

    Part of Intermetallics (Barking), p. 9-16, 2017.

  • Wang, Peng; Jiang, Xue; Hu, Jun; Huang, Xiaoming et al.

    Prediction of huge magnetic anisotropies in 5d transition metallocenes

    Part of Journal of Physics, 2017.

  • Söderlind, P.; Landa, A.; Locht, Inka L. M.; Åberg, D. et al.

    Prediction of the new efficient permanent magnet SmCoNiFe3

    Part of Physical Review B, 2017.

  • Bouibes, A.; Zaoui, A.; Luo, Wei; Ahuja, Rajeev

    Promising optical characteristics of zinc peroxide from first-principles investigation

    Part of Solid State Communications, p. 6-9, 2017.

  • Sjöqvist, Erik

    Proposed neutron interferometry test of Berry's phase for a circulating planar spin

    Part of Physical Review A. Atomic, Molecular, and Optical Physics, 2017.

    Open access
  • Shukla, Vivekanand; Jena, Naresh K.; Grigoriev, Anton; Ahuja, Rajeev

    Prospects of Graphene-hBN Heterostructure Nanogap for DNA Sequencing

    Part of ACS Applied Materials and Interfaces, p. 39945-39952, 2017.

  • Mirsakiyeva, Amina; Hugosson, Håkan W.; Crispin, Xavier; Delin, Anna

    Quantum Molecular Dynamical Calculations of PEDOT 12-Oligomer and its Selenium and Tellurium Derivatives

    Part of Journal of Electronic Materials, p. 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

    Part of ACS ENERGY LETTERS, p. 837-845, 2017.

  • Mondal, Ritwik

    Relativistic theory of laser-induced magnetization dynamics

    Open access
  • Mondal, Ritwik; Berritta, Marco; Nandy, Ashis K.; Oppeneer, Peter M.

    Relativistic theory of magnetic inertia in ultrafast spin dynamics

    Part of Physical review B: covering condensed matter and materials physics, 2017.

  • Li, Yunguo; Li, Yan-Ling; Sa, Baisheng; Ahuja, Rajeev

    Review of two-dimensional materials for photocatalytic water splitting from a theoretical perspective

    Part of Catalysis Science & Technology, p. 545-559, 2017.

  • Qian, Zhao; Guo, Weimin; Jiang, Guanzhong; Xu, Shaokun et al.

    Revisiting Mg-Mg2Ni System from Electronic Perspective

    Part of METALS, 2017.

    Open access
  • Xu, Guofu; Zhao, P.Z.; Tong, Dianmin; Sjöqvist, Erik

    Robust paths to realize nonadiabatic holonomic gates

    Part of Physical Review A. Atomic, Molecular, and Optical Physics, 2017.

    Open access
  • Kotmool, Komsilp; Chakraborty, Sudip; Bovornratanaraks, Thiti; Ahuja, Rajeev

    Role of relativity in high-pressure phase transitions of thallium

    Part of 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

    Part of 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

    Part of Superlattices and Microstructures, p. 976-982, 2017.

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

    Signatures of relativistic spin-light coupling in magneto-optical pump-probe experiments

    Part of 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

    Part of 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

    Part of 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

    Part of Zhongguó wùli xuékan, p. 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

    Part of 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

    Part of 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

    Part of 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

    Part of Proceedings of the National Academy of Sciences of the United States of America, p. 3596-3600, 2017.

  • Lu, Song; Li, Ruihuan; Kadas, Krisztina; Zhang, Hualei et al.

    Stacking fault energy of C-alloyed steels: The effect of magnetism

    Part of Acta Materialia, p. 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

    Part of 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

    Part of The Journal of Physical Chemistry C, p. 9528-9536, 2017.

  • Jain, Anupriya; Jain, Anita; Panwar, Sanjay; Singh, Rajan et al.

    Studies of hypro-mellose (HPMC) functionalized ZnS:Mn fluorescent quantum dots

    Part of Journal of materials science. Materials in electronics, p. 1931-1937, 2017.

  • Shibuya, Taizo; Yasuoka, Kenji; Mirbt, Susanne; Sanyal, Biplab

    Subsurface Polaron Concentration As a Factor in the Chemistry of Reduced TiO2 (110) Surfaces

    Part of The Journal of Physical Chemistry C, p. 11325-11334, 2017.

  • Björnson, Kristofer; Balatsky, Alexander V.; Black-Schaffer, Annica M.

    Superconducting order parameter π-phase shift in magnetic impurity wires

    Part of Physical Review B, 2017.

  • Walbruhl, Martin; Blomqvist, Andreas; Korzhavyi, Pavel A.; Araujo, Carlos Moyses

    Surface gradients in cemented carbides from first-principles-based multiscale modeling: Atomic diffusion in liquid Co

    Part of International journal of refractory metals & hard materials, p. 174-179, 2017.

  • Mirsakiyeva, Amina; Hugosson, Håkan W.; Linares, Mathieu; Delin, Anna

    Temperature dependence of band gaps and conformational disorder in PEDOT and its selenium and tellurium derivatives: Density functional calculations

    Part of Journal of Chemical Physics, 2017.

  • Spiegelberg, Jakob; Rusz, Jan; Pelckmans, Kristiaan

    Tensor decompositions for the analysis of atomic resolution electron energy loss spectra

    Part of Ultramicroscopy, p. 36-45, 2017.

  • Lee, Jee-Yong; Koo, Yang Mo; Lu, Song; Vitos, Levente et al.

    The behaviour of stacking fault energy upon interstitial alloying

    Part of 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

    Part of Scientific Reports, 2017.

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

    The Curious Case of Two Dimensional Si2BN: A High-capacity Battery Anode Material

    Part of Nano Energy, p. 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

    Part of Physical Review B, 2017.

  • Bengtson, Charlotta; Sjöqvist, Erik

    The role of quantum coherence in dimer and trimer excitation energy transfer

    Part of New Journal of Physics, 2017.

    Open access
  • Migas, D. B.; Shaposhnikov, V. L.; Borisenko, V. E.; Skorodumova, Natalia V.

    The Surface Energy and Band Structure of gamma-WO3 Thin Films

    Part of Science of Advanced Materials, p. 469-474, 2017.

  • Spiegelberg, Jakob; Rusz, Jan; LEIFER, KLAUS; Thersleff, Thomas

    The usage of data compression for the background estimation of electron energy loss spectra

    Part of Ultramicroscopy, p. 117-122, 2017.

  • Long, Debing; Li, Mingkai; Luo, Minghai; Zhu, Jiakun et al.

    Theoretical investigation on thermodynamic properties of ZnO1-Te-x(x) alloys

    Part of MATERIALS RESEARCH EXPRESS, 2017.

  • 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

    Part of 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

    Part of Physical Review B, 2017.

  • Maldonado, Pablo; Carva, Karel; Flammer, Martina; Oppeneer, Peter M.

    Theory of out-of-equilibrium ultrafast relaxation dynamics in metals

    Part of 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

    Part of JOM, p. 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

    Part of Applied Physics Letters, 2017.

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

    Three-dimensional organic Dirac-line materials due to nonsymmorphic symmetry: A data mining approach

    Part of Physical Review B, 2017.

  • Hasan, Mehedi; Yudin, Dmitry; Iorsh, Ivan; Eriksson, Olle et al.

    Topological edge-state engineering with high-frequency electromagnetic radiation

    Part of Physical Review B, 2017.

  • Shukla, Vivekanand; Wärnå, John; Jena, Naresh K.; Grigoriev, Anton et al.

    Toward the Realization of 2D Borophene Based Gas Sensor

    Part of The Journal of Physical Chemistry C, p. 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

    Part of Scientific Reports, 2017.

    Open access
  • Hammar, Henning; Fransson, Jonas

    Transient spin dynamics in a single-molecule magnet

    Part of 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)

    Part of 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

    Part of Materials & design, p. 100-107, 2017.

  • Löthman, Tomas; Black-Schaffer, Annica M.

    Universal phase diagrams with superconducting domes for electronic flat bands

    Part of Physical Review B, 2017.

  • Spiegelberg, Jakob; Muto, Shunsuke; Ohtsuka, Masahiro; Pelckmans, Kristiaan et al.

    Unmixing hyperspectral data by using signal subspace sampling

    Part of Ultramicroscopy, p. 205-211, 2017.

  • Li, Jibiao; Ahuja, Rajeev

    Unsaturated surface in CO saturation

    Part of Surface and Interface Analysis, p. 892-897, 2017.

  • Metsanurk, Erki; Tamm, Artur; Aabloo, A.; Klintenberg, Mattias et al.

    Vacancies at the Cu-Nb semicoherent interface

    Part of Modelling and Simulation in Materials Science and Engineering, 2017.

  • Brumboiu, Iulia Emilia; Prokopiou, Georgia; Kronik, Leeor; Brena, Barbara

    Valence electronic structure of cobalt phthalocyanine from an optimally tuned range-separated hybrid functional

    Part of 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

    Part of The Journal of Physical Chemistry C, p. 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

    Part of Catalysis Science & Technology, p. 6605-6614, 2016.

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

    A general view on the reactivity of the oxygen-functionalized graphene basal plane

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 6580-6586, 2016.

  • Sun, Weiwei; Li, Yunguo; Wang, Baotian; Jiang, Xue et al.

    A new 2D monolayer BiXene, M2C (M = Mo, Tc, Os)

    Part of Nanoscale, p. 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

    Part of New Journal of Physics, 2016.

    Open access
  • Koumpouras, Konstantinos; Bergman, Anders; Eriksson, Olle; Yudin, Dmitry

    A spin dynamics approach to solitonics

    Part of 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

    Part of Journal of Magnetism and Magnetic Materials, p. 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

    Part of Journal of Physics, 2016.

  • Li, Guijiang; Eriksson, Olle; Johansson, Börje; Vitos, Levente

    Ab initio investigation of competing antiferromagnetic structures in low Si-content FeMn(PSi) alloy

    Part of Journal of Physics, 2016.

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

    Ab Initio Theory of Coherent Laser-Induced Magnetization in Metals

    Part of Physical Review Letters, 2016.

  • Rusz, Ján; Idrobo, Juan Carlos

    Aberrated electron probes for magnetic spectroscopy with atomic resolution: Theory and practical aspects

    Part of 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

    Part of Computational and Theoretical Chemistry, p. 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

    Part of 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

    Part of Journal of Alloys and Compounds, p. 565-574, 2016.

  • Schött, Johan; Locht, Inka L. M.; Lundin, Elin; Grånäs, Oscar et al.

    Analytic continuation by averaging Pade approximants

    Part of 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

    Part of Physical Review B, 2016.

  • Li, Chun-Mei; Yang, Rui; Johansson, Börje; Vitos, Levente

    Anomalous thermodynamic properties and phase stability of delta-Pu1-xMx (M = Ga and Al) alloys from first-principles calculations

    Part of Physical Review B, 2016.

  • Autieri, Carmine

    Antiferromagnetic and xy ferro-orbital order in insulating SrRuO3 thin films with SrO termination

    Part of Journal of Physics, 2016.

  • Tian, F.; Wang, Y.; Irving, D. L.; Vitos, Levente

    Applications of coherent potential approximation to HEAs

    Part of High-Entropy Alloys, p. 299-332, 2016.

  • Nurmi, E.; Wang, G.; Kokko, K.; Vitos, Levente

    Assessing the elastic properties and ductility of Fe-Cr-Al alloys from ab initio calculations

    Part of Philosophical Magazine, p. 122-133, 2016.

  • Schonecker, Stephan; Li, Xiaoqing; Johansson, Börje; Vitos, Levente

    Atomic long-range order effects on Curie temperature and adiabatic spin-wave dynamics in strained Fe-Co alloy films

    Part of 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

    Part of Sensors and actuators. B, Chemical, p. 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

    Benchmark investigation of diamondoid-functionalized electrodes for nanopore DNA sequencing

    Part of Nanotechnology, 2016.

  • Marcos, Rocio; Xue, Liqin; Sanchez-de-Armas, Rocio; Ahlquist, Marten S. G.

    Bicarbonate Hydrogenation Catalyzed by Iron: How the Choice of Solvent Can Reverse the Reaction

    Part of ACS Catalysis, p. 2923-2929, 2016.

  • Amorim, Rodrigo G.; Rocha, Alexandre R.; Scheicher, Ralph H.

    Boosting DNA Recognition Sensitivity of Graphene Nanogaps through Nitrogen Edge Functionalization

    Part of The Journal of Physical Chemistry C, p. 19384-19388, 2016.

  • Tian, Fuyang; Varga, Lajos Karoly; Shen, Jiang; Vitos, Levente

    Calculating elastic constants in high-entropy alloys using the coherent potential approximation: Current issues and errors

    Part of Computational materials science, p. 350-358, 2016.

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

    Cationic Effect on Pressure Driven Spin-State Transition and Cooperativity in Hybrid Perovskites

    Part of Chemistry of Materials, p. 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

    Part of 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

    Part of Physical Review B. Condensed Matter and Materials Physics, 2016.

  • 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

    Part of Metallurgical and materials transactions. B, process metallurgy and materials processing science, p. 1553-1564, 2016.

  • Sjöqvist, Erik; Azimi Mousolou, Vahid; Canali, Carlo M.

    Conceptual aspects of geometric quantum computation

    Part of Quantum Information Processing, p. 3995-4011, 2016.

    Open access
  • Panda, Swarup K.; Di Marco, Igor; Delin, Anna; Eriksson, Olle

    Correlated electronic structure of CeN

    Part of Journal of Electron Spectroscopy and Related Phenomena, p. 111-115, 2016.

  • Peters, L.; Di Marco, Igor; Grånäs, Oscar; Sasioglu, E. et al.

    Correlation effects and orbital magnetism of Co clusters

    Part of PHYSICAL REVIEW B, 2016.

  • Maldonado, Pablo; Paolasini, L.; Oppeneer, Peter. M.; Forrest, T. R. et al.

    Crystal dynamics and thermal properties of neptunium dioxide

    Part of PHYSICAL REVIEW B, 2016.

  • Haldar, Soumyajyoti; Sanyal, Biplab

    Defects in Graphene and its Derivatives

    Part of Recent Advances in Graphene Research, p. 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

    Part of PHYSICAL REVIEW B, 2016.

  • Song, Dongsheng; Rusz, Jan; Cai, Jianwang; Zhu, Jing

    Detection of electron magnetic circular dichroism signals under zone axial diffraction geometry

    Part of Ultramicroscopy, p. 44-54, 2016.

  • Thersleff, Thomas; Rusz, Jan; Hjörvarsson, Björgvin; Leifer, Klaus

    Detection of magnetic circular dichroism with subnanometer convergent electron beams

    Part of 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

    Diamondoid-functionalized gold nanogaps as sensors for natural, mutated, and epigenetically modified DNA nucleotides

    Part of Nanoscale, p. 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

    Part of Philosophical Magazine, p. 2736-2751, 2016.

  • Höfner, Susanne; Bladh, S.; Aringer, B.; Ahuja, Rajeev

    Dynamic atmospheres and winds of cool luminous giants I. Al2O3 and silicate dust in the close vicinity of M-type AGB stars

    Part of 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

    Part of Scientific Reports, 2016.

    Open access
  • Jacob, Persson

    Dynamics of Coupled Spin and Displacement

    2016.

    Open access
  • Das, Debashish; Ganguly, Shreemoyee; Sanyal, Biplab; Ghosh, Subhradip

    Effect of Fe doping in the structural, electronic and magnetic properties of CoCr2O4: insights from ab initio calculations

    Part of 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

    Part of Computational materials science, p. 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

    Part of Nanotechnology, 2016.

  • Seifert, T.; Jaiswal, S.; Martens, U.; Hannegan, J. et al.

    Efficient metallic spintronic emitters of ultrabroadband terahertz radiation

    Part of Nature Photonics, p. 483-+, 2016.

  • Edström, Alexander; Lubk, Axel; Rusz, Ján

    Elastic Scattering of Electron Vortex Beams in Magnetic Matter.

    Part of Physical Review Letters, 2016.

  • Ebadi, Mahsa; Brandell, Daniel; Araujo, Carlos Moyses

    Electrolyte decomposition on Li-metal surfaces from first-principles theory

    Part of Journal of Chemical Physics, 2016.

  • Berggren, Peter; Fransson, Jonas

    Electron Paramagnetic Resonance of Single Magnetic Moment on a Surface

    Part of 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

    Part of 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

    Part of PHYSICAL REVIEW B, 2016.

  • Bocharov, D.; Zguns, Pjotrs; Piskunov, S.; Kuzmin, A. et al.

    Electronic structure of cubic ScF3 from first-principles calculations

    Part of Low temperature physics (Woodbury, N.Y., Print), p. 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

    Part of 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

    Part of 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

    Part of The Journal of Physical Chemistry C, p. 23389-23396, 2016.

  • Tamm, A.; Samolyuk, G.; Correa, A. A.; Klintenberg, Mattias et al.

    Electron-phonon interaction within classical molecular dynamics

    Part of 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

    Part of RSC Advances, p. 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

    Part of Nuclear Instruments and Methods in Physics Research Section B, p. 76-80, 2016.

  • Michaud, Jérôme; Cocquet, Pierre-Henri

    Error of an eFDDM: What do matched asymptotic expansions teach us?

    Part of Domain Decomposition Methods in Science and Engineering XXII, p. 335-343, 2016.

  • Grånäs, Oscar; Vinichenko, Dmitry; Kaxiras, Efthimios

    Establishing the limits of efficiency of perovskite solar cells from first principles modeling

    Part of Scientific Reports, 2016.

    Open access
  • Araujo, Rafael B.; Ahuja, Rajeev

    Evaluating bulk Nb2O2F3 for Li-battery electrode applications

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 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

    Part of 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

    Part of 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

    Part of ARKIVOC, p. 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)

    Part of 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

    Part of 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

    Part of 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

    Part of 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

    Part of Materials & design, p. 80-89, 2016.

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

    From chiral d-wave to nodal line superconductivity in the harmonic honeycomb lattices

    Part of Physical Review B, 2016.

  • Borlenghi, Simone

    Gauge invariance and geometric phase in nonequilibrium thermodynamics

    Part of 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

    Part of International journal of hydrogen energy, p. 2526-2538, 2016.

  • Li, Wei; Lu, Song; Hu, Qing-Miao; Johansson, Börje et al.

    Generalized stacking fault energy of gamma-Fe

    Part of Philosophical Magazine, p. 524-541, 2016.

  • Henighan, T.; Trigo, M.; Bonetti, S.; Granitzka, P. et al.

    Generation mechanism of terahertz coherent acoustic phonons in Fe

    Part of 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

    Part of 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

    Part of PHYSICAL REVIEW B, 2016.

  • Panda, Swarup K.; Pal, Banabir; Mandal, Suman; Gorgoi, Mihaela et al.

    High photon energy spectroscopy of NiO: Experiment and theory

    Part of PHYSICAL REVIEW B, 2016.

  • Anversa, Jonas; Chakraborty, Sudip; Piquini, Paulo; Ahuja, Rajeev

    High pressure driven superconducting critical temperature tuning in Sb2Se3 topological insulator

    Part of Applied Physics Letters, 2016.

  • Lindström, A.; Mirbt, Susanne; Sanyal, Biplab; Klintenberg, Mattias

    High resistivity in undoped CdTe: carrier compensation of Te antisites and Cd vacancies

    Part of 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

    Part of Journal of Solid State Chemistry, p. 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

    Part of Inorganic Chemistry, p. 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

    Part of Zhongguó wùli xuékan, p. 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

    Part of Journal of Chemical Theory and Computation, p. 2871-2879, 2016.

  • 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

    Part of Journal of Chemical Theory and Computation, p. 1772-1785, 2016.

  • Löfgren, André; Zeiger, Paul; Kocevski, Vancho; Rusz, Ján

    Influence of nuclear quantum effects on frozen phonon simulations of electron vortex beam HAADF-STEM images.

    Part of Ultramicroscopy, p. 62-69, 2016.

  • Bouhou, S.; Essaoudi, I.; Ainane, A.; Ahuja, Rajeev

    Investigation of a core/shell Ising nanoparticle: Thermal and magnetic properties

    Part of Physica. B, Condensed matter, p. 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

    Part of 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

    Part of Solid State Ionics, p. 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

    Part of ACS Applied Materials and Interfaces, p. 6982-6991, 2016.

  • Mancarella, Francesco; Fransson, Jonas; Balatsky, Alexander

    Josephson coupling between superconducting islands on single- and bi-layer graphene

    Part of 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.

    Part of 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

    Part of Analytical Chemistry, p. 4169-4173, 2016.

  • Mashkoori, Mahdi; Mahyaeh, Iman; Jafari, Seyed Akbar

    Localized Magnetic States in Three Dimensional Dirac Solids

    Part of 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

    Part of Journal of Solid State Chemistry, p. 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)

    Part of PHYSICAL REVIEW B, 2016.

  • Edström, Alexander; Lubk, Axel; Rusz, Jan

    Magnetic Effects in the Paraxial Regime of Elastic Electron Scattering

    Part of 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

    Part of 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

    Part of Physica A, p. 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

    Part of 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

    Part of Ultramicroscopy, p. 186-194, 2016.

  • Cedervall, Johan; Andersson, Mikael Svante; Sarkar, Tapati; Delczeg-Czirjak, Erna K. et al.

    Magnetic structure of the magnetocaloric compound AlFe2B2

    Part of Journal of Alloys and Compounds, p. 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

    Part of Scientific Reports, 2016.

    Open access
  • 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

    Part of PHYSICAL REVIEW B, 2016.

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

    Majorana fermions at odd junctions in a wire network of ferromagnetic impurities

    Part of 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

    Part of 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.

    Part of Journal of Physical Chemistry Letters, p. 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

    Part of Materials & design, p. 71-74, 2016.

  • 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

    Part of 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

    Part of 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

    Part of Applied Energy, p. 472-485, 2016.

  • Araujo, Rafael B.; Chakraborty, Sudip; Barpanda, Prabeer; Ahuja, Rajeev

    Na2M2(SO4)(3) (M = Fe, Mn, Co and Ni): towards high-voltage sodium battery applications

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 9658-9665, 2016.

  • Borlenghi, Simone; Mahani, M. R.; Delin, Anna; Fransson, Jonas

    Nanoscale control of heat and spin conduction in artificial spin chains

    Part of Physical Review B, 2016.

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

    Nano-structured interface of graphene and h-BN for sensing applications

    Part of 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

    Part of International journal of hydrogen energy, p. 14404-14428, 2016.

  • Paillard, Charles; Mondal, Ritwik; Berritta, Marco; Dkhil, Brahim et al.

    New relativistic Hamiltonian: the Angular MagnetoElectric coupling

    Part of Spintronics IX, 2016.

  • Neupane, Madhab; Belopolski, Ilya; Hosen, M. Mofazzel; Sanchez, Daniel S. et al.

    Observation of topological nodal fermion semimetal phase in ZrSiS

    Part of PHYSICAL REVIEW B, 2016.

  • Gruenebohm, A.; Herper, Heike C.; Entel, P.

    On the rich magnetic phase diagram of (Ni, Co)-Mn-Sn Heusler alloys

    Part of 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

    Part of Philosophical Magazine, p. 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

    Part of 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

    Part of 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.

    Part of Inorganic Chemistry, p. 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

    Part of Journal of Physical Chemistry Letters, p. 4988-4995, 2016.

  • Araujo, Rafael B.; Islam, Muhammed Shafiqul; Chakraborty, Sudip; Ahuja, R.

    Predicting electrochemical properties and ionic diffusion in Na2+2xMn2-x(SO4)(3): crafting a promising high voltage cathode material

    Part of Journal of Materials Chemistry A, p. 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

    Part of 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

    Part of 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

    Part of ACS Applied Materials and Interfaces, p. 1536-1544, 2016.

  • Kolesov, Grigory; Grånäs, Oscar; Hoyt, Robert; Vinichenko, Dmitry et al.

    Real-Time TD-DFT with Classical Ion Dynamics: Methodology and Applications

    Part of Journal of Chemical Theory and Computation, p. 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

    Part of 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

    Part of Physical Review B, 2016.

  • Lejaeghere, Kurt; Bihlmayer, Gustav; Björkman, Torbjörn; Blaha, Peter et al.

    Reproducibility in density functional theory calculations of solids.

    Part of Science, p. 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

    Part of 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

    Part of ACS SENSORS, p. 807-816, 2016.

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

    Scale transitions in magnetisation dynamics

    Part of Communications in Computational Physics, p. 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

    Part of Journal of Physics D, 2016.

    Open access
  • Herterich, Emmi; Sjöqvist, Erik

    Single-loop multiple-pulse nonadiabatic holonomic quantum gates

    Part of 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

    Part of 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

    Part of Journal of Magnetism and Magnetic Materials, p. 236-244, 2016.

  • El Hamri, M.; Bouhou, S.; Essaoudi, I.; Ainane, Abdelmajid et al.

    Some characteristic behaviours of a spin-1/2 Ising nanoparticle

    Part of 3Rd Euro-Mediterranean Conference On Materials And Renewable Energies (Emcmre-3), 2016.

  • Bergman, Anders; Hellsvik, Johan; Bessarab, Pavel F.; Delin, Anna

    Spin relaxation signature of colossal magnetic anisotropy in platinum atomic chains

    Part of Scientific Reports, 2016.

    Open access
  • Azimi Mousolou, Vahid; Canali, Carlo M.; Sjöqvist, Erik

    Spin-electric Berry phase shift in triangular molecular magnets

    Part of 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

    Part of RSC Advances, p. 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

    Part of 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

    Part of 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

    Part of 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

    Part of 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

    Part of 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

    Part of 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

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 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

    Part of 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

    Part of Chemistry of Materials, p. 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

    Part of Nanoscale, p. 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

    Part of Physical Review B, 2016.

  • 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

    Part of Physical Review B, 2016.

  • 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

    Part of 2016 46Th European Solid-State Device Research Conference (ESSDERC), p. 299-302, 2016.

  • Kim, Dongyoo; Vitos, Levente

    Tuned Magnetic Properties of L1(0)-MnGa/Co(001) Films by Epitaxial Strain

    Part of 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

    Part of 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

    Part of Nature Physics, p. 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

    Part of Journal of Materials Chemistry A, p. 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

    Part of Journal of Materials Chemistry A, p. 17960-17969, 2016.

    Open access
  • Rusz, Jan; Idrobo, Juan-Carlos; Wrang, Linus

    Vorticity in electron beams: definition, properties, and its relationship with magnetism

    Part of 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

    Part of The Journal of Physical Chemistry C, p. 14270-14276, 2016.

    Open access
  • Jansing, C.; Mertins, H. -Ch.; Gilbert, M.; Wahab, H. et al.

    X-ray natural birefringence in reflection from graphene

    Part of 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

    Part of Journal of Physics, 2015.

  • Spiegelberg, Jakob; Rusz, Jan

    A multislice theory of electron scattering in crystals including backscattering and inelastic effects

    Part of Ultramicroscopy, p. 11-18, 2015.

  • Kaewmaraya, Thanayut; Luo, Wei; Yang, Xiao; Panigrahi, Puspamitra et al.

    A new, layered monoclinic phase of Co3O4 at high pressure

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 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

    Part of Journal of Applied Physics, 2015.

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

    Ab initio investigation of light-induced relativistic spin-flip effects in magneto-optics

    Part of 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

    Part of Physical Review B. Condensed Matter and Materials Physics, 2015.

  • 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

    Part of 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

    Part of 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

    Part of 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

    Part of Surface Science, p. 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

    Part of RSC Advances, p. 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

    Part of Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Levamaki, H.; Nagy, A.; Kokko, K.; Vitos, Levente

    Alternative to the Kohn-Sham equations: The Pauli potential differential equation

    Part of Physical Review A. Atomic, Molecular, and Optical Physics, 2015.

  • 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

    Part of Acta Materialia, p. 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

    Part of Acta Materialia, p. 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

    Part of 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

    Part of Journal of Electron Spectroscopy and Related Phenomena, p. 92-97, 2015.

  • Tamm, Artur; Aabloo, Alvo; Klintenberg, Mattias; Stocks, Malcolm et al.

    Atomic-scale properties of Ni-based FCC ternary, and quaternary alloys

    Part of Acta Materialia, p. 307-312, 2015.

  • Etz, Corina; Bergqvist, Lars; Bergman, Anders; Taroni, Andrea et al.

    Atomistic spin dynamics and surface magnons

    Part of 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

    Part of Physical Review B. Condensed Matter and Materials Physics, p. 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

    Part of ChemPhysChem, p. 634-639, 2015.

  • Pasti, Igor A.; Baljozovic, Milos R.; Granda-Marulanda, Laura P.; Skorodumova, Natalia V.

    Bimetallic dimers adsorbed on a defect-free MgO(001) surface: bonding, structure and reactivity

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 9666-9679, 2015.

  • Choudhuri, Indrani; Patra, Nandini; Mahata, Arup; Ahuja, Rajeev et al.

    B-N@Graphene: Highly Sensitive and Selective Gas Sensor

    Part of The Journal of Physical Chemistry C, p. 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

    Part of Proceedings of the National Academy of Sciences of the United States of America, p. 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

    Part of 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

    Part of Physica status solidi. B, Basic research, p. 1259-1265, 2015.

  • Lindström, Anna; Klintenberg, Mattias; Sanyal, Biplab; Mirbt, Susanne

    Cl-doping of Te-rich CdTe: Complex formation, self-compensation and self-purification from first principles

    Part of AIP Advances, 2015.

    Open access
  • Nystrand, Thomas; Venemalm, J.; Werpers, Jonatan; Eriksson, Olle et al.

    Coarse-Graining Approach to Atomistic SpinDynamics

    Part of ULTRAFAST MAGNETISM I, p. 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

    Part of Physical Review E. Statistical, Nonlinear, and Soft Matter Physics, 2015.

  • 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

    Part of 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

    Part of 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

    Part of The Journal of Physical Chemistry C, p. 21227-21233, 2015.

  • Orthaber, Andreas; Löfås, Henrik; Öberg, Elisabet; Grigoriev, Anton et al.

    Cooperative Gold Nanoparticle Stabilization by Acetylenic Phosphaalkenes

    Part of Angewandte Chemie International Edition, p. 10634-10638, 2015.

  • Zguns, Pjotrs A.; Wessel, Michael; Skorodumova, Natalia V.

    Cu adatom charging on Mo supported ScN, MgO and NaF

    Part of RSC Advances, p. 94436-94445, 2015.

    Open access
  • Pershoguba, Sergey S.; Björnson, Kristofer; Black-Schaffer, Annica M.; Balatsky, Alexander V.

    Currents Induced by Magnetic Impurities in Superconductors with Spin-Orbit Coupling

    Part of 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

    Part of Chemistry of Materials, p. 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

    Part of RSC Advances, p. 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

    Part of Nature Communications, 2015.

    Open access
  • Isaeva, Leyla; Hellman, O.; Lashley, J. C.; Abrikosov, I. A. et al.

    Dynamic stabilization of cubic AuZn

    Part of Materials today: Proceedings, p. S569-S572, 2015.

    Open access
  • Yudin, Dmitry; Eriksson, Olle; Katsnelson, Mikhail I.

    Dynamics of quasiparticles in graphene under intense circularly polarized light

    Part of 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

    Part of Ferroelectrics (Print), p. 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

    Part of Metallurgical and materials transactions. B, process metallurgy and materials processing science, p. 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

    Part of 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

    Part of 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

    Part of Journal of Molecular Modeling, 2015.

  • Pohl, Darius; Schneider, Sebastian; Rusz, Jan; Rellinghaus, Bernd

    Electron vortex beams prepared by a spiral aperture with the goal to measure EMCD on ferromagnetic films via STEM

    Part of Ultramicroscopy, p. 16-22, 2015.

  • Rasander, Mikael; Bergqvist, Lars; Delin, Anna

    Electronic structure and lattice dynamics in the FeSb3 skutterudite from density functional theory

    Part of 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

    Part of International Journal of Quantum Chemistry, p. 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

    Part of Physical Review B. Condensed Matter and Materials Physics, 2015.

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  • Kvashnin, Yaroslav O.; Weiwei, Sun; Di Marco, Igor; Eriksson, Olle

    Electronic topological transition and noncollinear magnetism in compressed hcp Co

    Part of 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

    Part of Ultrafast Magnetism I, p. 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

    Part of 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

    Part of Intermetallics (Barking), p. 1-6, 2015.

  • Borlenghi, Simone; Iubini, Stefano; Lepri, Stefano; Chico, Jonathan et al.

    Energy and magnetization transport in nonequilibrium macrospin systems

    Part of 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

    Part of Journal of Materials Chemistry C, p. 3422-3427, 2015.

  • Pereiro, Manuel; Etz, Corina; Bergqvist, Lars; Bergman, Anders et al.

    Evanescent exchange magnons in a 1D magnonic crystal

    Part of Ultrafast Magnetism I, p. 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

    Part of 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

    Part of 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

    Part of 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

    Part of Journal of Alloys and Compounds, p. 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

    Part of Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Kocevski, Vancho; Rusz, Jan; Eriksson, Olle; Sarma, Dipankar Das

    First-principles study of the influence of different interfaces and core types on the properties of CdSe/CdS core-shell nanocrystals

    Part of 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

    Part of Journal of Physics, p. 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

    Part of Journal of Physics, 2015.

  • Thonig, Danny; Henk, Juergen; Eriksson, Olle

    Gilbert-like damping caused by time retardation in atomistic magnetization dynamics

    Part of 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

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 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

    Part of 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

    Part of The Journal of Physical Chemistry C, p. 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

    Part of ChemSusChem, p. 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

    Part of Nanotechnology, 2015.

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

    Hysteresis Behavior and Pyroelectric Properties of Multi-Surface Ferroelectric Thin Films

    Part of Zhongguó wùli xuékan, 2015.

  • Hussain, Tanveer; Maark, Tuhina Adit; Chakraborty, Sudip; Ahuja, Rajeev

    Improvement in Hydrogen Desorption from - and -MgH2 upon Transition-Metal Doping

    Part of ChemPhysChem, p. 2557-2561, 2015.

  • Fransson, Jonas

    Inelastic-impurity-scattering-induced spin texture and topological transitions in surface electron waves

    Part of 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

    Part of 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)

    Part of Journal of Applied Physics, 2015.

  • Araujo, Rafael B.; de Almeida, J. S.; da Silva, A. Ferreira; Ahuja, Rajeev

    Insights in the electronic structure and redox reaction energy in LiFePO4 battery material from an accurate Tran-Blaha modified Becke Johnson potential

    Part of Journal of Applied Physics, 2015.

  • Roy, S.; Autieri, Carmine; Sanyal, Biplab; Banerjee, T.

    Interface control of electronic transport across the magnetic phase transition in SrRuO3/SrTiO3 heterointerface

    Part of 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

    Part of Acta Physica Polonica. A, p. 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

    Part of Intermetallics (Barking), p. 85-90, 2015.

  • Berritta, Marco; Manrique, David Zs.; Lambert, Colin J.

    Interplay between quantum interference and conformational fluctuations in single-molecule break junctions

    Part of Nanoscale, p. 1096-1101, 2015.

  • Hinzke, D.; Berritta, Marco; Atxitia, U.; Mondal, Ritwik et al.

    Inverse Faraday effect as mechanism for ultrafast all-optical magnetic switching

    Part of 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

    Part of 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

    Part of Superlattices and Microstructures, p. 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

    (Invited) Linking magnetic properties to nanoscale spectral and spatial features

    Part of 79. Jahrestagung der DPG und DPG-Frühjahrstagung, 2015.

  • Lubk, A.; Rusz, Jan

    Jacob's ladder of approximations to paraxial dynamic electron scattering

    Part of 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

    Part of Journal of Electron Spectroscopy and Related Phenomena, p. 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

    Part of Computer Physics Communications, p. 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

    Part of Journal of Physics D, 2015.

  • Chimata, Raghuveer; Chico, Jonathan; Bergman, Anders; Berqvist, Lars et al.

    Laser heated ferromagnetic simulations

    Part of Ultrafast Magnetism I, p. 76-78, 2015.

  • Wang, Baotian; Souvatzis, Petros; Eriksson, Olle; Zhang, Ping

    Lattice dynamics and chemical bonding in Sb2Te3 from first-principles calculations

    Part of 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

    Part of 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

    Part of 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

    Part of 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

    Part of Physical Review Letters, 2015.

  • Bouhou, S.; Essaoudi, I.; Ainane, A.; Oubelkacem, A. et al.

    Magnetic Properties of a Transverse Ising Nanoparticle

    Part of Journal of Superconductivity and Novel Magnetism, p. 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

    Part of 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

    Part of Journal of Physics, 2015.

  • Zhou, Jian; Sa, Baisheng; Sun, Zhimei; Si, Chen et al.

    Manipulating carriers' spin polarization in the Heusler alloy Mn2CoAl

    Part of RSC Advances, p. 73814-73819, 2015.

  • Ganguly, Shreemoyee; Kabir, Mukul; Autieri, Carmine; Sanyal, Biplab

    Manipulating magnetism of MnO nano-clusters by tuning the stoichiometry and charge state

    Part of Journal of Physics, p. 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

    Part of Chemistry of Materials, p. 5550-5561, 2015.

  • Leetmaa, Mikael; Skorodumova, Natalia V.

    Mean square displacements with error estimates from non-equidistant time-step kinetic Monte Carlo simulations

    Part of Computer Physics Communications, p. 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

    Part of RSC Advances, p. 69680-69689, 2015.

  • Delczeg-Czirjak, Erna K.; Delczeg, L.; Vitos, Levente; Eriksson, Olle

    Monovacancy formation energies and Fermi surface topological transitions in Pd-Ag alloys

    Part of 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

    Part of 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

    Part of 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

    Part of Journal of Materials Chemistry A, p. 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

    Part of 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)

    Part of Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Livanas, G.; Aperis, Alex; Kotetes, P.; Varelogiannis, G.

    Nematicity from mixed S± + dx2-y2 states in iron-based superconductors

    Part of Physical Review B. Condensed Matter and Materials Physics, 2015.

  • Ganguly, Shreemoyee; Granas, Oscar; Nordstrom, Lars

    Nontrivial order parameter in Sr2IrO4

    Part of Physical Review B. Condensed Matter and Materials Physics, p. 020404-, 2015.

  • Ganguly, Shreemoyee; Chimata, Raghuveer; Sanyal, Biplab

    Overcoming magnetic frustration and promoting half-metallicity in spinel CoCr2O4 by doping with Fe

    Part of 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

    Part of Electrochimica Acta, p. 1092-1099, 2015.

  • Huang, Shuo; Vida, Adam; Molnar, David; Kadas, Krisztina et al.

    Phase stability and magnetic behavior of FeCrCoNiGe high-entropy alloy

    Part of Applied Physics Letters, 2015.

  • Thonig, Danny; Honk, J.

    Pinning of thermal excitations at defects in artificial dipolar arrays: A theoretical investigation

    Part of Journal of Magnetism and Magnetic Materials, p. 117-124, 2015.

  • Leo, Naemi; Bergman, Anders; Cano, Andres; Poudel, Narayan et al.

    Polarization control at spin-driven ferroelectric domain walls

    Part of Nature Communications, 2015.

  • Bondarenko, Nina; Eriksson, Olle; Skorodumova, Natalia. V.

    Polaron mobility in oxygen-deficient and lithium-doped tungsten trioxide

    Part of 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

    Part of The Journal of Physical Chemistry C, p. 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

    Part of 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

    Part of Scientific Reports, p. 7720-, 2015.

  • Zhang, Xinyu; Qin, Jiaqian; Liu, Hanyu; Zhang, Shiliang et al.

    Pressure-induced zigzag phosphorus chain and superconductivity in boron monophosphide

    Part of Scientific Reports, 2015.

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

    Probing vortex Majorana fermions and topology in semiconductor/superconductor heterostructures

    Part of 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

    Part of 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

    Part of Small, p. 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

    Part of The Journal of Physical Chemistry C, p. 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

    Part of 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

    Part of Nanoscale, p. 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

    Part of Physical Review B. Condensed Matter and Materials Physics, 2015.

    Open access
  • Mahabal, Manasi S.; Deshpande, Mrinalini D.; Hussain, Tanveer; Ahuja, Rajeev

    Sensing Characteristics of a Graphene-like Boron Carbide Monolayer towards Selected Toxic Gases

    Part of ChemPhysChem, p. 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

    Part of Analytical Chemistry, p. 8772-8780, 2015.

  • Amorim, Rodrigo G.; Scheicher, Ralph H.

    Silicene as a new potential DNA sequencing device

    Part of 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

    Part of Physical Review B. Condensed Matter and Materials Physics, 2015.