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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Yang, Xiaoyong; Singh, Deobrat; Xu, Zhitong; Wang, Ziwei et al.

An emerging Janus MoSeTe material for potential applications in optoelectronic devices

Part of Journal of Materials Chemistry C, p. 12312-12320, 2019.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

Moberg, Simon

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

2019.

Uploaded full-text To DiVA

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.

DOI To DiVA

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

Atomic photoionization cross sections beyond the electric dipole approximation

Part of Journal of Chemical Physics, 2019.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

Bylin, Johan

Best practice of extracting magnetocaloric properties in magnetic simulations

2019.

Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Fransson, Jonas

Chirality-Induced Spin Selectivity: The Role of Electron Correlations

Part of Journal of Physical Chemistry Letters, p. 7126-7132, 2019.

DOI To DiVA

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.

DOI To DiVA

Shukla, Vivekanand

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

Uploaded full-text To DiVA

Duan, Yu-Xia; Zhang, Cheng; Rusz, Jan; Oppeneer, Peter M. et al.

Crystal electric field splitting and f-electron hybridization in heavy-fermion CePt2In7

Part of Physical Review B, 2019.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Watcharatharapong, Teeraphat

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

Uploaded full-text To DiVA

Watcharatharapong, Teeraphat; Chakraborty, Sudip; Ahuja, Rajeev

Defect Thermodynamics in Nonstoichiometric Alluaudite-Based Polyanionic Materials for Na-Ion Batteries

Part of ACS Applied Materials and Interfaces, p. 32856-32868, 2019.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

Aydin, Alhun; Oikonomou, Thomas; Bagci, Gokhan Baris; Sisman, Altug

Discrete and Weyl density of states for photonic dispersion relation

Part of Physica Scripta, 2019.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Hammar, Henning

Dynamics of Magnetic Molecules under Electrical Control

Uploaded full-text To DiVA

Singh, D.; Gupta, Sanjeev K.; Lukacevic, Igor; Muzevic, Matko et al.

Effect of electric field on optoelectronic properties of indiene monolayer for photoelectric nanodevices

Part of Scientific Reports, 2019.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Zhang, Teng; Brumboiu, I. E.; Lanzilotto, Valeria; Grazioli, C. et al.

Electronic structure modifications induced by increased molecular complexity: from triphenylamine to m-MTDATA

Part of Physical Chemistry, Chemical Physics - PCCP, p. 17959-17970, 2019.

DOI To DiVA

Nilsson, Carolina

Elektrisk styrning av mekaniska vibrationer

2019.

Uploaded full-text To DiVA

Singh, Deobrat; Chakraborty, Sudip; Ahuja, Rajeev

Emergence of Si2BN Monolayer as Efficient HER Catalyst under Co-functionalization Influence

Part of ACS APPLIED ENERGY MATERIALS, p. 8441 8441-8448 8448, 2019.

DOI To DiVA

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.

DOI To DiVA

Singh, D.; Ahuja, Rajeev

Enhanced Optoelectronic and Thermoelectric Properties by Intrinsic Structural Defects in Monolayer HfS2

Part of ACS APPLIED ENERGY MATERIALS, p. 6891 6891-6903 6903, 2019.

DOI To DiVA

Ramberg, Nicklas; Sjöqvist, Erik

Environment-assisted holonomic quantum maps

Part of Physical Review Letters, 2019.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

Sjöqvist, Erik

Geometry along Evolution of Mixed Quantum States

2019.

To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

Rafailovic, Lidija D.; Gammer, Christoph; Ebner, Christian; Rentenberger, Christian et al.

High density of genuine growth twins in electrodeposited aluminum

Part of Science Advances, 2019.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Ek, Gustav; Nedumkandathil, Reji; Johansson, Robert; Montero, Jorge et al.

Hydrogen induced structure and property changes in Eu₃Si₄

Part of Journal of Solid State Chemistry, p. 37-45, 2019.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

de Castro Portugal, Pedro Vinicius

Implementing a One Qubit Holonomic Quantum Gate in aBosonic Environment

2019.

Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Zeiger, Paul Michel

Influence of non-dipole trnasitions on the extraction of EMCD

2019.

Uploaded full-text To DiVA

Mirsakiyeva, Amina; Ebadi, Mahsa; Araujo, Carlos Moyses; Brandell, Daniel et al.

Initial Steps in PEO Decomposition on a Li Metal Electrode

Part of The Journal of Physical Chemistry C, p. 22851-22857, 2019.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Yang, Xiaoyong; Banerjee, Amitava; Xu, Zhitong; Wang, Ziwei et al.

Interfacial aspect of ZnTe/In2Te3 heterostructures as an efficient catalyst for the hydrogen evolution reaction

Part of Journal of Materials Chemistry A, p. 27441-27449, 2019.

DOI To DiVA

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

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

Part of MAGNETOCHEMISTRY, 2019.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

Alniss, Hasan Y.; Witzel, Ini-Isabee; Semreen, Mohammad H.; Panda, Pritam Kumar et al.

Investigation of the Factors That Dictate the Preferred Orientation of Lexitropsins in the Minor Groove of DNA

Part of Journal of Medicinal Chemistry, p. 10423-10440, 2019.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

Arslanov, T. R.; Dzhamamedov, R. G.; Zakhvalinskii, V. S.; Kochura, A. , V et al.

Low energy band gap state in compressed needlelike structure of CdSb:Ni

Part of Applied Physics Letters, 2019.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Persson, Jacob

Magnon-Phonon Coupling

2019.

Uploaded full-text To DiVA

Theiler, Andreas; Björnson, Kristofer; Black-Schaffer, Annica M.

Majorana bound state localization and energy oscillations for magnetic impurity chains on conventional superconductors

Part of Physical Review B, 2019.

DOI To DiVA

Mashkoori, Mahdi; Black-Schaffer, Annica M.

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

Part of Physical Review B, 2019.

DOI To DiVA

Watcharatharapong, Teeraphat; Chakraborty, Sudip; Ahuja, Rajeev

Mapping Sodium Intercalation Mechanism, Electrochemical Properties and Structural Evolution in Non-stoichiometric Alluaudite Na_2+2δFe_2-δ(SO₄)₃ Cathode Materials

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

DOI To DiVA

Wen, Xiaoyu; Liu, Yuhang; Jadhav, Ankur; Zhang, Jian et al.

Materials Compatibility in Rechargeable Aluminum Batteries: Chemical and Electrochemical Properties between Vanadium Pentoxide and Chloroaluminate Ionic Liquids

Part of Chemistry of Materials, p. 7238-7247, 2019.

DOI To DiVA

Banerjee, Amitava

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

Uploaded full-text To DiVA

Edin, Emil; Blomqvist, Andreas; Lattemann, Martina; Luo, Wei et al.

MD study of C diffusion in WC/W interfaces observed in cemented carbides

Part of International journal of refractory metals & hard materials, 2019.

DOI To DiVA

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.

DOI To DiVA

Maldonado, Pablo; Kvashnin, Yaroslav

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

Part of Physical Review B, 2019.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Benatto, Leandro; Marchiori, Cleber; Araujo, Carlos Moyses; Koehler, Marlus

Molecular origin of efficient hole transfer from non-fullerene acceptors: insights from first-principles calculations

Part of Journal of Materials Chemistry C, p. 12180-12193, 2019.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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

Near-unity spin Hall ratio in Ni_xCu_1-x alloys

Part of Physical Review B, 2019.

DOI To DiVA

Gaucher, Yann

Odd-Frequency Pairing

2019.

Uploaded full-text To DiVA

Triola, Christopher; Black-Schaffer, Annica M.

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

Part of Physical Review B, 2019.

DOI To DiVA

Tsintzis, Athanasios; Black-Schaffer, Annica M.; Cayao, Jorge

Odd-frequency superconducting pairing in Kitaev-based junctions

Part of Physical Review B, 2019.

DOI To DiVA

Triola, Christopher; Black-Schaffer, Annica M.

Odd-frequency superconductivity induced by nonmagnetic impurities

Part of Physical Review B, 2019.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

Shabani, Alireza; Nezhad, Mehdi Khazaei; Rahmani, Neda; Roknabadi, Mahmood Rezaee et al.

Optical Properties of Au-Doped Titanium Nitride Nanostructures: a Connection Between Density Functional Theory and Finite-Difference Time-Domain Method

Part of Plasmonics, p. 1871-1879, 2019.

DOI To DiVA

Rotunno, Enzo; Zanfrognini, Matteo; Frabboni, Stefano; Rusz, Jan et al.

Orbital angular momentum resolved electron magnetic chiral dichroism

Part of Physical Review B, 2019.

DOI To DiVA

Salemi, Leandro; Berritta, Marco; Nandy, Ashis K.; Oppeneer, Peter M.

Orbitally dominated Rashba-Edelstein effect in noncentrosymmetric antiferromagnets

Part of Nature Communications, 2019.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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

Peculiar magnetic states in the double perovskite Nd2NiMnO6

Part of Physical Review B, 2019.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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

Photoelectron Spectroscopy of Molecules Beyond the Electric Dipole Approximation

Part of Journal of Chemical Theory and Computation, p. 5483-5494, 2019.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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

Pressure-induced magnetovolume effect in CoCrFeAl high-entropy alloy

Part of Communications Physics, 2019.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

Rodrigues Alves, Kaue

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

2019.

Uploaded full-text To DiVA

Yang, Xiaoyong; Banerjee, Amitava; Ahuja, Rajeev

Probing the active sites of newly predicted stable Janus scandium dichalcogenides for photocatalytic water-splitting

Part of Catalysis Science & Technology, p. 4981-4989, 2019.

DOI To DiVA

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.

DOI To DiVA

Negi, Devendra Singh; Zeiger, Paul; Jones, Lewys; Idrobo, Juan-Carlos et al.

Prospect for detecting magnetism of a single impurity atom using electron magnetic chiral dichroism

Part of Physical Review B, 2019.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Aydin, Alhun; Sisman, Altug

Quantum shape effects and novel thermodynamic behaviors at nanoscale

Part of Physics Letters A, p. 655-665, 2019.

DOI To DiVA

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.

DOI To DiVA

Metsanurk, Erki; Klintenberg, Mattias

Sampling-dependent systematic errors in effective harmonic models

Part of Physical Review B, 2019.

DOI To DiVA

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.

DOI To DiVA

Dutta, Paramita; Black-Schaffer, Annica M.

Signature of odd-frequency equal-spin triplet pairing in the Josephson current on the surface of Weyl nodal loop semimetals

Part of Physical Review B, 2019.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

Löfgren, André

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

2019.

Uploaded full-text To DiVA

Thersleff, Thomas; Schönström, Linus; Tai, Cheuk-Wai; Adam, Roman et al.

Single-pass STEM-EMCD on a zone axis using a patterned aperture: progress in experimental and data treatment methods

Part of Scientific Reports, 2019.

DOI Uploaded full-text To DiVA

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.

DOI Uploaded full-text To DiVA

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

Skyrmion lifetime in ultrathin films

Part of Physical Review B, 2019.

DOI To DiVA

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.

DOI To DiVA

Schmitz, Detlef; Schmitz-Antoniak, Carolin; Radu, Florin; Ryll, Hanjo et al.

Soft X-Ray Magnetic Circular Dichroism of Vanadium in the Metal-Insulator Two-Phase Region of Paramagnetic V2O3 Doped with 1.1% Chromium

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

DOI Uploaded full-text To DiVA

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.

To DiVA

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.

DOI To DiVA

Bondarenko, Nina G.; Chico, J.; Kvashnin, Yaroslav; Bergman, Anders et al.

Spin polaronics: Static and dynamic properties of spin polarons in La-doped CaMnO4

Part of Physical Review B, 2019.

DOI To DiVA

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

Spin-dependent heat signatures of single-molecule spin dynamics

Part of Physical Review B, 2019.

DOI To DiVA

Katcko, K.; Urbain, E.; Taudul, B.; Schleicher, F. et al.

Spin-driven electrical power generation at room temperature

Part of Communications Physics, 2019.

DOI Uploaded full-text To DiVA

Negi, Devendra Singh; Singh, Deobrat; van Aken, Peter A.; Ahuja, Rajeev

Spin-entropy induced thermopower and spin-blockade effect in CoO

Part of Physical Review B, 2019.

DOI To DiVA

Sokolewicz, Robert; Ghosh, Sumit; Yudin, Dmitry; Manchon, Aurelien et al.

Spin-orbit torques in a Rashba honeycomb antiferromagnet

Part of Physical Review B, 2019.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Nie, Xi; Qian, Zhao; Du, Wenzheng; Lu, Zhansheng et al.

Structural Evolution of AlN Nanoclusters and the Elemental Chemisorption Characteristics: Atomistic Insight

Part of NANOMATERIALS, 2019.

DOI Uploaded full-text To DiVA

Herterich, Emmi

Sudden Death of Entanglement for non-locality and concurrence: A review of entanglement sudden death behaviour of non-locality and concurrence in commonly used entangled state classes under inuence of decay and dephasing noise dynamics

2019.

Uploaded full-text To DiVA

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.

DOI To DiVA

Tomer, Vijay K.; Malik, Ritu; Chaudhary, Vandna; Mishra, Yogendra K. et al.

Superior visible light photocatalysis and low-operating temperature VOCs sensor using cubic Ag(0)-MoS2 loaded g-CN 3D porous hybrid

Part of APPLIED MATERIALS TODAY, p. 193 193-203 203, 2019.

DOI To DiVA

Bagrov, Andrey A.; Guinea, Francisco; Katsnelson, Mikhail, I

Suppressing backscattering of helical edge modes with a spin bath

Part of Physical Review B, 2019.

DOI To DiVA

Damas, Giane; Marchiori, Cleber; Araujo, Carlos Moyses

Tailoring the Electron-Rich Moiety in Benzothiadiazole-Based Polymers for an Efficient Photocatalytic Hydrogen Evolution Reaction

Part of The Journal of Physical Chemistry C, p. 25531-25542, 2019.

DOI To DiVA

Mondal, Ritwik; Donges, Andreas; Ritzmann, Ulrike; Oppeneer, Peter M. et al.

Terahertz spin dynamics driven by a field-derivative torque

Part of Physical Review B, 2019.

DOI To DiVA

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

The AbinitioD Gamma A Project v1.0: Non-local correlations beyond and susceptibilities within dynamical mean-field theory

Part of Computer Physics Communications, 2019.

DOI To DiVA

Martinez-Casado, R.; Dasmahapatra, A.; Sgroi, M. F.; Romero-Muniz, C. et al.

The CeFe11Ti permanent magnet: a closer look at the microstructure of the compound

Part of Journal of Physics, 2019.

DOI To DiVA

Huang, Shuo

The chemical ordering and elasticity in FeCoNiAl_1-xTi_x high-entropy alloys

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

DOI To DiVA

Alwan, Seif

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

2019.

Uploaded full-text To DiVA

Samuelsson, Niclas

The Magnon-Phonon coupling from a microscopic perspective

2019.

Uploaded full-text To DiVA

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.

DOI To DiVA

Dai, J. H.; Li, W.; Song, Y.; Vitos, Levente

Theoretical investigation of the phase stability and elastic properties of TiZrHfNb-based high entropy alloys

Part of Materials & design, 2019.

DOI Uploaded full-text To DiVA

Nie, Xi; Qian, Zhao; Li, Hu; Ahuja, Rajeev et al.

Theoretical prediction of a novel aluminum nitride nanostructure: Atomistic exposure

Part of Ceramics International, p. 23690-23693, 2019.

DOI To DiVA

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.

DOI To DiVA

Aydin, Alhun; Fransson, Jonas; Sisman, Altug

Thermosize voltage induced in a ballistic graphene nanoribbon junction

Part of Journal of Applied Physics, 2019.

DOI Uploaded full-text To DiVA

Pradhan, Saurabh; Fransson, Jonas

Time-dependent potential impurity in a topological insulator

Part of Physical Review B, 2019.

DOI To DiVA

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.

DOI To DiVA

Herper, Heike C.; Grünebohm, Anna

Tuning the Magnetic Anisotropy of NiPtMnGa by Substitution and Epitaxial Strain

Part of IEEE transactions on magnetics, 2019.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

Khoshlahni, Rohollah; Qaiumzadeh, Alireza; Bergman, Anders; Brataas, Arne

Ultrafast generation and dynamics of isolated skyrmions in antiferromagnetic insulators

Part of Physical Review B, 2019.

DOI To DiVA

Ji, Cheng; Li, Bing; Liu, Wenjun; Smith, Jesse S. et al.

Ultrahigh-pressure isostructural electronic transitions in hydrogen

Part of Nature, p. 558-562, 2019.

DOI To DiVA

Prasongkit, Jariyanee; Shukla, Vivekanand; Grigoriev, Anton; Ahuja, Rajeev et al.

Ultrahigh-sensitive gas sensors based on doped phosphorene: A First-principles investigation

Part of Applied Surface Science, 2019.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

Wärnå, John

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

Uploaded full-text To DiVA

Bouhon, Adrien; Black-Schaffer, Annica M.; Slager, Robert-Jan

Wilson loop approach to fragile topology of split elementary band representations and topological crystalline insulators with time-reversal symmetry

Part of Physical Review B, 2019.

DOI To DiVA

Silva, Jose Luis; Unger, Isaak; Matias, Tiago A.; Franco, Leandro R. et al.

X‑ray Photoelectron Fingerprints of High-Valence Ruthenium−Oxo Complexes along the Oxidation Reaction Pathway in an Aqueous Environment

Part of The Journal of Physical Chemistry Letters, p. 7636 7636-7643 7643, 2019.

DOI To DiVA

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.

DOI To DiVA

Acker, Pascal; Rzesny, Luisa; Marchiori, Cleber F. N.; Araujo, Carlos Moyses et al.

π-Conjugation Enables Ultra-High Rate Capabilities and Cycling Stabilities in Phenothiazine Copolymers as Cathode-Active Battery Materials

Part of Advanced Functional Materials, 2019.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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

A majority gate with chiral magnetic solitons

Part of Journal of Physics, 2018.

DOI To DiVA

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.

DOI To DiVA

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.

To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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

Another view on Gilbert damping in two-dimensional ferromagnets

Part of Scientific Reports, 2018.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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

Beyond a phenomenological description of magnetostriction

Part of Nature Communications, 2018.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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

Bringing nanomagnetism to the mesoscale with artificial amorphous structures

Part of Physical Review B, 2018.

DOI To DiVA

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.

DOI To DiVA

Firat, Coskun; Sisman, Altug; Aydin, Alhun

Characterization of density oscillations in confined and degenerate Fermi gases

Part of Modern physics letters B, 2018.

DOI To DiVA

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

Charge transfer-tuned magnetism in Nd-substituted Gd₅Si₄

Part of AIP Advances, 2018.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Žguns, Pjotrs A.

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

Uploaded full-text To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI Uploaded full-text To DiVA

Östlin, A.; Vitos, Levente; Chioncel, L.

Correlated electronic structure with uncorrelated disorder

Part of Physical Review B, 2018.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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

Density functional study of carbon vacancies in titanium carbide

Part of Journal of Physics, 2018.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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

Dynamical Disentangling and Cooling of Atoms in Bilayer Optical Lattices

Part of Physical Review Letters, 2018.

DOI To DiVA

Hammar, Henning; Fransson, Jonas

Dynamical exchange and phase induced switching of a localized molecular spin

Part of Physical Review B, 2018.

DOI To DiVA

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

Effect of Ag Doping on Electronic Structure of Cluster Compounds Ag_xMo₉Se₁₁ (x = 3.4, 3.9)

Part of ACS APPLIED ENERGY MATERIALS, p. 4032 4032-4039 4039, 2018.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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

Electron transport in NH3/NO2 sensed buckled antimonene

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

DOI To DiVA

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.

DOI To DiVA

Cardias Alves de Almeida, Ramon

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

Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Azimi Mousolou, Vahid; Sjöqvist, Erik

Entangling power of holonomic gates in atom-based systems

Part of Journal of Physics A, 2018.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

Liu, Yuhang

First Principle Study of Multiferroic Bismuth Ferrite

2018.

Uploaded full-text To DiVA

Westholm, Jacob

First principles calculations of 2D materials

2018.

Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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

Lifetime of racetrack skyrmions

Part of Scientific Reports, 2018.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Keshavarz Hedayati, Samara

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

Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Aperis, Alex; Oppeneer, Peter M.

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

Part of Physical Review B. Condensed Matter and Materials Physics, 2018.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Herper, Heike C.

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

Part of Physical Review B, 2018.

DOI To DiVA

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

Nonlinear spin susceptibility in topological insulators

Part of Physical Review B, 2018.

DOI To DiVA

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

Nonlocal Gilbert damping tensor within the torque-torque correlation model

Part of Physical review materials, 2018.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Triola, Christopher; Black-Schaffer, Annica M.

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

Part of Physical Review B, 2018.

DOI To DiVA

Cayao, Jorge; Black-Schaffer, Annica M.

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

Part of Physical Review B, 2018.

DOI To DiVA

Tsintzis, Athanasios

Odd-frequency superconducting pairing in Kitaev-based junctions

2018.

Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Xu, Guofu; Tong, Dianmin; Sjöqvist, Erik

Path-shortening realizations of nonadiabatic holonomic gates

Part of Physical Review A. Atomic, Molecular, and Optical Physics, 2018.

DOI To DiVA

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.

To DiVA

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.

DOI To DiVA

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

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

Part of Scientific Reports, 2018.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Vasquez Jaramillo, Juan David

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

Uploaded full-text To DiVA

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.

DOI Uploaded full-text To DiVA

Awoga, Oladunjoye; Black-Schaffer, Annica M.

Probing unconventional superconductivity in proximitized graphene by impurity scattering

Part of Physical Review B, 2018.

DOI To DiVA

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.

DOI To DiVA

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

Publisher Correction: Beyond a phenomenological description of magnetostriction

Part of Nature Communications, 2018.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Eriksson, Olle

Searching for materials with reduced dimension

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

DOI To DiVA

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.

DOI To DiVA

Pradhan, Saurabh; Fransson, Jonas

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

Part of Physical Review B, 2018.

DOI To DiVA

Spiegelberg, Jakob

Signal Processing Tools for Electron Microscopy

Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Michaud, Jérôme; Szilva, Attila

Social influence with recurrent mobility and multiple options

Part of Physical Review E. Statistical, Nonlinear, and Soft Matter Physics, 2018.

DOI Uploaded full-text To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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

Spontaneous surface flux pattern in chiral p-wave superconductors

Part of Physical Review B, 2018.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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

The High-Pressure Superconducting Phase of Arsenic

Part of Scientific Reports, 2018.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Schött, Johan

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

Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Bondarenko, Nina

Theoretical studies of lattice- and spin-polarons

Uploaded full-text To DiVA

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

Thermal spin fluctuations in CoCrFeMnNi high entropy alloy

Part of Scientific Reports, 2018.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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

Topological superconductivity in the extended Kitaev-Heisenberg model

Part of Physical Review B, 2018.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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

Twinning in metastable high-entropy alloys

Part of Nature Communications, 2018.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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

Unified theory of magnetization dynamics with relativistic and nonrelativistic spin torques

Part of Physical Review B, 2018.

DOI To DiVA

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.

DOI To DiVA

Svensson, Pamela H.W.

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

2018.

Uploaded full-text To DiVA

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

Zero-Depth Interfacial Nanopore Capillaries

Part of Advanced Materials, 2018.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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

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

Part of Physical Review B, 2017.

DOI To DiVA

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

Anisotropic distortion and Lifshitz transition in alpha-Hf under pressure

Part of Physical Review B, 2017.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI Uploaded full-text To DiVA

Koumpouras, Konstantinos

Atomistic spin dynamics and relativistic effects in chiral nanomagnets

Uploaded full-text To DiVA

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.

DOI Uploaded full-text To DiVA

Eriksson, Karl-Erik; Cederwall, Martin; Lindgren, Kristian; Sjöqvist, Erik

Bifurcation in Quantum Measurement

2017.

To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Spiegelberg, Jakob; Rusz, Jan

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

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

DOI To DiVA

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.

DOI To DiVA

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.

To DiVA

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.

DOI To DiVA

Liu, Yuhang

Chromium Cluster on Defected Graphene

2017.

Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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

Divulging the Hidden Capacity and Sodiation Kinetics of Na_xC₆Cl₄O₂: A High Voltage Organic Cathode for Sodium Rechargeable Batteries

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

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

Rodrigues, Debora C. M.

Electronic Structure and Atomistic Spin Dynamics of Nanostructured Materials

Uploaded full-text To DiVA

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

Electronic structure investigation of biphenylene films

Part of Journal of Chemical Physics, 2017.

DOI To DiVA

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.

DOI To DiVA

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

Electronic structure of (Ga, Mn) As revisited

Part of New Journal of Physics, 2017.

DOI To DiVA

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.

DOI To DiVA

Araújo, Rafael Barros Neves de

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

Uploaded full-text To DiVA

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.

DOI To DiVA

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

Enhanced skyrmion stability due to exchange frustration

Part of Scientific Reports, 2017.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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

Entropy production for complex Langevin equations

Part of Physical review. E, 2017.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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

Extended spin model in atomistic simulations of alloys

Part of Physical Review B, 2017.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Bouhon, Adrien; Black-Schaffer, Annica M.

Global band topology of simple and double Dirac-point semimetals

Part of Physical Review B, 2017.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Parhizgar, Fariborz; Black-Schaffer, Annica M.

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

Part of Scientific Reports, 2017.

DOI Uploaded full-text To DiVA

Adler, Severino

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

2017.

Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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

Impurity scattering on the surface of topological-insulator thin films

Part of Physical Review B, 2017.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Sjöqvist, Erik

Kvantdatorer - beräkningsmaskiner i landet annorlunda

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

To DiVA

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

Local lattice distortion in high-entropy alloys

Part of PHYSICAL REVIEW MATERIALS, 2017.

DOI Uploaded full-text To DiVA

Theiler, Andreas

Localisation of Majorana fermions inferromagnetic impurity chains onspin-orbit coupled superconductors

2017.

Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

Thonig, Danny; Eriksson, Olle; Pereiro, Manuel

Magnetic moment of inertia within the torque-torque correlation model

Part of Scientific Reports, 2017.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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

Magnetic properties of the Fe5SiB2−Fe5PB2 system

Part of Physical Review B, 2017.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

Edström, Alexander

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

Part of Physical Review B, 2017.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

Oppeneer, Peter. M.

Materials Optics: Lighting Up Antiferromagnets

Part of Nature Photonics, p. 74-76, 2017.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

Rusz, Ján

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

Part of Ultramicroscopy, p. 20-25, 2017.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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

New quaternary half-metallic ferromagnets with large Curie temperatures

Part of Scientific Reports, 2017.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

Komendova, Lucia; Black-Schaffer, Annica M.

Odd-Frequency Superconductivity in Sr2RuO4 Measured by Kerr Rotation

Part of Physical Review Letters, 2017.

DOI To DiVA

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.

To DiVA

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.

DOI To DiVA

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.

To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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

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

Part of Scientific Reports, 2017.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA

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.

DOI To DiVA

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.

DOI Uploaded full-text To DiVA