Publikationer

  • Pereira de Carvalho, Rodrigo; Marchiori, Cleber F. N.; Brandell, Daniel; Araujo, Moyses

    Artificial intelligence driven in-silico discovery of novel organic lithium-ion battery cathodes

    Ingår i Energy Storage Materials, s. 313-325, 2022.

    Open access
  • Oppeneer, Peter M.; Kapaklis, Vassilios

    Plasmonic lasers turn magnetic

    Ingår i Nature Photonics, s. 11-13, 2022.

  • Ye, Mingliang; Teng, Yuancheng; Zhao, Xiaofeng; Wang, Shanlin et al.

    Preparation and properties of situ-sintered SiC ceramics aided by ZnO-Al2O3-CaO

    Ingår i Journal of Alloys and Compounds, 2022.

  • Li, Shaohan; Sun, Weiwei; Luo, Yi; Yu, Jin et al.

    Pushing the limit of thermal conductivity of MAX borides and MABs

    Ingår i Journal of Materials Science & Technology, s. 79-88, 2022.

  • Schröter, M.; Herper, Heike C.; Grünebohm, A.

    Tuning the magnetic phase diagram of Ni-Mn-Ga by Cr and Co substitution

    Ingår i Journal of Physics D, 2022.

    Open access
  • Panigrahi, Puspamitra; Sajjad, Muhammad; Singh, Deobrat; Hussain, Tanveer et al.

    Two-dimensional Nitrogenated Holey Graphene (C2N) monolayer based glucose sensor for diabetes mellitus

    Ingår i Applied Surface Science, 2022.

  • Mahida, H. R.; Singh, Deobrat; Sonvane, Yogesh; Ahuja, Rajeev et al.

    2D MgF2 nanosheet as a promising candidate for thermoelectric material

    Ingår i Materials today, s. 555-558, 2021.

  • de Groot, Frank M. F.; Elnaggar, Hebatalla; Frati, Federica; Wang, Ru-pan et al.

    2p x-ray absorption spectroscopy of 3d transition metal systems

    Ingår i Journal of Electron Spectroscopy and Related Phenomena, 2021.

    Open access
  • Bandyopadhyay, Arka; Majumdar, Arnab; Chowdhury, Suman; Ahuja, Rajeev et al.

    8-16-4 graphyne: Square-lattice two-dimensional nodal line semimetal with a nontrivial topological Zak index

    Ingår i Physical Review B, 2021.

  • Yang, Zhibiao; Sun, Jian; Lu, Song; Vitos, Levente

    A comparative study of solid-solution strengthening in Cr-Co-Ni complex concentrated alloys: The effect of magnetism

    Ingår i Computational materials science, 2021.

  • Mazurenko, V. V.; Kvashnin, Yaroslav O.; Lichtenstein, A. I.; Katsnelson, M. I.

    A DMI Guide to Magnets Micro-World

    Ingår i Journal of Experimental and Theoretical Physics, s. 506-516, 2021.

  • de Araujo, Luis O.; Neto, Alfredo L.; Scalon, Lucas; Rodrigues, Paula C. et al.

    A new CBD-CC-E spectral similarity scale for optimizing computer-simulated UV?vis spectra

    Ingår i Computational and Theoretical Chemistry, 2021.

  • Milikic, Jadranka; Martins, Marta; Dobrota, Ana S.; Bozkurt, Gamze et al.

    A Pt/MnV2O6 nanocomposite for the borohydride oxidation reaction

    Ingår i Journal of Energy Chemistry, s. 428-436, 2021.

  • Michaud, Jérôme; Mäkinen, Ilkka Henrik; Szilva, Attila; Frisk, Emil

    A spatial analysis of parliamentary elections in Sweden 1985-2018

    Ingår i APPLIED NETWORK SCIENCE, 2021.

    Open access
  • Hassan, Sk Sarif; Aljabali, Alaa A. A.; Panda, Pritam Kumar; Ghosh, Shinjini et al.

    A unique view of SARS-CoV-2 through the lens of ORF8 protein

    Ingår i Computers in Biology and Medicine, 2021.

    Open access
  • Novko, Dino; Lyon, Keenan; Mowbray, Duncan J.; Despoja, Vito

    Ab initio study of electromagnetic modes in two-dimensional semiconductors: Application to doped phosphorene

    Ingår i Physical Review B, 2021.

  • Vishina, Alena; Eriksson, Olle; Vekilova, Olga Yu; Bergman, Anders et al.

    Ab-initio study of the electronic structure and magnetic properties of Ce2Fe17

    Ingår i Journal of Alloys and Compounds, 2021.

    Open access
  • Jin, Wentao; Chen, Guangde; Duan, Xiangyang; Araujo, C. Moyses et al.

    Absolute surface energies of wurtzite (101‾1) surfaces and the instability of the cation-adsorbed surfaces of II-VI semiconductors

    Ingår i Applied Physics Letters, 2021.

  • Gregefalk, Anton

    Adiabatic Shortcut to Geometric Quantum Computation in Noiseless Subsystems

    2021.

    Open access
  • Grenz, P. J.; Thonig, Danny; Holtmann, M.; Miyamoto, K. et al.

    Adlayer influence on Dirac-type surface state at W(110)

    Ingår i Journal of Physics, 2021.

    Open access
  • Ayatollahi, Azadeh; Roknabadi, Mahmood Rezaee; Behdani, Mohammad; Shahtahmassebi, Nasser et al.

    Adsorption characteristics of amino acids on graphene and germanene using dispersion-corrected density functional theory

    Ingår i Physica. E, Low-Dimensional systems and nanostructures, 2021.

  • Kumar, P. Anil; Lashgari, Koroush; Naim Katea, Sarmad; Karis, Olof et al.

    All-alkoxide based deposition and properties of a multilayer La0.67Sr0.33MnO3/CoFe2O4/La0.67Sr0.33MnO3 film

    Ingår i European Journal of Inorganic Chemistry, s. 1736-1744, 2021.

    Open access
  • Tian, Li-Yun; Gutfleisch, Oliver; Eriksson, Olle; Vitos, Levente

    Alloying effect on the order-disorder transformation in tetragonal FeNi

    Ingår i Scientific Reports, 2021.

    Open access
  • Verma, Suresh K.; Thirumurugan, A.; Panda, Pritam Kumar; Patel, P. et al.

    Altered electrochemical properties of iron oxide nanoparticles by carbon enhance molecular biocompatibility through discrepant atomic interaction

    Ingår i MATERIALS TODAY BIO, 2021.

    Open access
  • Schäfer, Rudolf; Oppeneer, Peter M.; Ognev, Alexey V.; Samardak, Alexander S. et al.

    Analyzer-free, intensity-based, wide-field magneto-optical microscopy

    Ingår i Applied Physics Reviews, 2021.

    Open access
  • Yuan, Ya-Hua; Duan, Yu-Xia; Rusz, Ján; Zhang, Chen et al.

    Angle-resolved photoemission spectroscopy view on the nature of Ce 4f electrons in the antiferromagnetic Kondo lattice CePd5Al2

    Ingår i Physical Review B, 2021.

  • Benito Llorens, José; Herrera, Edwin; Barrena, Víctor; Wu, Beilun et al.

    Anisotropic superconductivity in the spin-vortex antiferromagnetic superconductor CaK(Fe0.95Ni0.05)4As4

    Ingår i Physical Review B, 2021.

  • Unikandanunni, Vivek; Medapalli, Rajasekhar; Fullerton, Eric E.; Carva, Karel et al.

    Anisotropic ultrafast spin dynamics in epitaxial cobalt

    Ingår i Applied Physics Letters, 2021.

    Open access
  • Dhakal, Gyanendra; Cheenicode Kabeer, Fairoja; Pathak, Arjun K.; Kabir, Firoza et al.

    Anisotropically large anomalous and topological Hall effect in a kagome magnet

    Ingår i Physical Review B, 2021.

  • Rybakov, Filipp N.; Pervishko, Anastasiia; Eriksson, Olle; Babaev, Egor

    Antichiral ferromagnetism

    Ingår i Physical Review B, 2021.

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

    Antimonene Allotropes alpha- and beta-Phases as Promising Anchoring Materials for Lithium-Sulfur Batteries

    Ingår i Energy & Fuels, s. 9001-9009, 2021.

    Open access
  • Panigrahi, Puspamitra; Pal, Yash; Hussain, Tanveer; Ahuja, Rajeev

    Application of germanene monolayers as efficient anchoring material to immobilize lithium polysulfides in Li-S batteries

    Ingår i Applied Surface Science, 2021.

  • Cha, Gihoon; Hwang, Imgon; Hejazi, Seyedsina; Dobrota, Ana S. et al.

    As a single atom Pd outperforms Pt as the most active co-catalyst for photocatalytic H-2 evolution

    Ingår i ISCIENCE, 2021.

    Open access
  • Scalon, Lucas; Leithold Neto, Alfredo; Araujo, Luis O.; Zaioncz, Soraia et al.

    Assessing the Donor-Acceptor Nature and the Electrochemical Stability of a Fluorene-Diketopyrrolopyrrole-Thiophene-Based Copolymer

    Ingår i ACS APPLIED POLYMER MATERIALS, s. 4223-4233, 2021.

  • Yang, Zhibiao; Lu, Song; Tian, Yanzhong; Gu, Zijian et al.

    Assessing the magnetic order dependent gamma-surface of Cr-Co-Ni alloys

    Ingår i Journal of Materials Science & Technology, s. 66-74, 2021.

    Open access
  • Li, Zhuo; Lu, Jinlian; Jin, Lei; Rusz, Jan et al.

    Atomic Structure and Electron Magnetic Circular Dichroism of Individual Rock Salt Structure Antiphase Boundaries in Spinel Ferrites

    Ingår i Advanced Functional Materials, 2021.

    Open access
  • Elrashdy, Fatma; Tambuwala, Murtaza M.; Hassan, Sk Sarif; Adadi, Parise et al.

    Autoimmunity roots of the thrombotic events after COVID-19 vaccination

    Ingår i Autoimmunity Reviews, 2021.

  • Tsuppayakorn-aek, Prutthipong; Zhang, Jianbo; Luo, Wei; Ding, Yang et al.

    Bain Deformation Mechanism and Lifshitz Transition in Magnesium under High Pressure

    Ingår i Physica status solidi. B, Basic research, 2021.

  • Chikina, Alla; Christensen, Dennis, V; Borisov, Vladislav; Husanu, Marius-Adrian et al.

    Band-Order Anomaly at the gamma-Al2O3/SrTiO3 Interface Drives the Electron-Mobility Boost

    Ingår i ACS Nano, s. 4347-4356, 2021.

    Open access
  • Dai, Jingjing; Hu, Qingdan; Sun, Weiwei; Hu, Chunfeng et al.

    Behavior of intrinsic defects in BaF2 under uniaxial compressions: An ab initio investigation

    Ingår i Materials Today Communications, 2021.

  • Ortiz-Casas, Brandon; Galdamez-Martinez, Andres; Gutierrez-Flores, Jorge; Baca Ibanez, Andres et al.

    Bio-acceptable 0D and 1D ZnO nanostructures for cancer diagnostics and treatment

    Ingår i Materials Today, s. 533-569, 2021.

    Open access
  • Marattukalam, JJ.; Larsson, L.; Hjörvarsson, Björgvin; Ferraz, Natalia et al.

    Biocompatibility of an additively manufactured zirconium-based bulk metallic glass: Effect of surface roughness on osteoblastic cell response

    Ingår i Swedish Arena for Metal Additive Manufacturing 2021., 2021.

  • Sun, Xun; Lu, Song; Xie, Ruiwen; An, Xianghai et al.

    Can experiment determine the stacking fault energy of metastable alloys?

    Ingår i Materials & design, 2021.

    Open access
  • Deshpande, Swapnil S.; Deshpande, Mrinalini D.; Alhameedi, Khidhir; Ahuja, Rajeev et al.

    Carbon Nitride Monolayers as Efficient Immobilizers toward Lithium Selenides: Potential Applications in Lithium-Selenium Batteries

    Ingår i ACS Applied Energy Materials, s. 3891-3904, 2021.

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

    Cascade of replica bands in flat-band systems: Predictions for twisted bilayer graphene

    Ingår i Physical Review B, 2021.

    Open access
  • Fransson, Jonas

    Charge Redistribution and Spin Polarization Driven by Correlation Induced Electron Exchange in Chiral Molecules

    Ingår i Nano Letters, s. 3026-3032, 2021.

    Open access
  • Das, Tisita; Chakraborty, Sudip; Ahuja, Rajeev; Kawazoe, Yoshiyuki et al.

    Charge transfer driven interaction of CH4, CO2 and NH3 with TiS2 monolayer: Influence of vacancy defect

    Ingår i Catalysis Today, s. 189-195, 2021.

  • Murugesan, Chinnasamy; Panjalingam, Sathiya Priya; Lochab, Shubham; Rai, Rajeev Kumar et al.

    Cobalt tetraphosphate as an efficient bifunctional electrocatalyst for hybrid sodium-air batteries

    Ingår i Nano Energy, 2021.

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

    Coexisting commensurate and incommensurate charge ordered phases in CoO

    Ingår i Scientific Reports, 2021.

    Open access
  • Stolpp, Jan; Köhler, Thomas; Manmana, Salvatore R.; Jeckelmann, Eric et al.

    Comparative study of state-of-the-art matrix-product-state methods for lattice models with large local Hilbert spaces without U(1) symmetry

    Ingår i Computer Physics Communications, 2021.

  • Hait, Soumyarup; Husain, Sajid; Barwal, Vineet; Gupta, Nanhe Kumar et al.

    Comparison of high temperature growth versus post-deposition in situ annealing in attaining very low Gilbert damping in sputtered Co2FeAl Heusler alloy films

    Ingår i Journal of Magnetism and Magnetic Materials, 2021.

    Open access
  • Carvalho, P. C.; Miranda, I. P.; Klautau, A. B.; Bergman, Anders et al.

    Complex magnetic textures in Ni/Ir-n/Pt(111) ultrathin films

    Ingår i Physical Review Materials, 2021.

    Open access
  • Dai, Cheng-ren; Yang, Zhi-biao; Sun, Jian; Lu, Song et al.

    Composition and temperature dependence of α2 phase decomposition in high Nb-containing lamellar gamma-TiAl alloys: Experiments and first-principles calculations

    Ingår i Acta Materialia, 2021.

  • Haman, Zakaryae; Khossossi, Nabil; Kibbou, Moussa; Bouziani, Ilyas et al.

    Computational identification of efficient 2D Aluminium chalcogenides monolayers for optoelectronics and photocatalysts applications

    Ingår i Applied Surface Science, 2021.

  • Edin, Emil

    Computational Insights into Atomic Scale Wear Processes in Cemented Carbides

    Open access
  • Cayao, Jorge; Burset, Pablo

    Confinement-induced zero-bias peaks in conventional superconductor hybrids

    Ingår i Physical Review B, 2021.

  • Robert, Nilsson

    Constructing Numerical Methods For Solving The Guiding Equation In Bohmian Mechanics

    2021.

    Open access
  • Song, B. Q.; Xu, Mingyu; Borisov, Vladislav; Palasyuk, Olena et al.

    Construction of A-B heterolayer intermetallic crystals: Case studies of the 1144-phase TM-phosphides AB(TM)(4)P-4 (TM=Fe, Ru, Co, Ni)

    Ingår i Physical Review Materials, 2021.

  • Kamal, C.; Stenberg, Nader; Walle, Lars Erik; Ragazzon, Davide et al.

    Core-Level Binding Energy Reveals Hydrogen Bonding Configurations of Water Adsorbed on TiO2 (110) Surface

    Ingår i Physical Review Letters, 2021.

    Open access
  • Kamlapure, Anand; Cornils, Lasse; Zitko, Rok; Valentyuk, Maria et al.

    Correlation of Yu-Shiba-Rusinov States and Kondo Resonances in Artificial Spin Arrays on an s-Wave Superconductor

    Ingår i Nano Letters, s. 6748-6755, 2021.

    Open access
  • Lundstrom, Kenneth; Barh, Debmalya; Uhal, Bruce D.; Takayama, Kazuo et al.

    COVID-19 Vaccines and Thrombosis-Roadblock or Dead-End Street?

    Ingår i Biomolecules, 2021.

    Open access
  • Kibbou, M.; Haman, Z.; Bouziani, I.; Khossossi, Nabil et al.

    Cs2InGaX6 (X=Cl, Br, or I): Emergent Inorganic Halide Double Perovskites with enhanced optoelectronic characteristics

    Ingår i Current applied physics, s. 50-57, 2021.

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

    Curvature-induced effects in semiconducting alkaline-earth metal silicide nanotubes

    Ingår i Physica. E, Low-Dimensional systems and nanostructures, 2021.

  • Vishina, Alena; Hedlund, Daniel; Shtender, Vitalii; Delczeg-Czirjak, Erna K. et al.

    Data-driven design of a new class of rare-earth free permanent magnets

    Ingår i Acta Materialia, 2021.

    Open access
  • Wang, Shanlin; Zhao, Xiaofeng; Wu, Xian; Zhang, Qingyu et al.

    Design of Continuous Transport of the Droplet by the Contact-Boiling Regime

    Ingår i Langmuir, s. 553-560, 2021.

  • Verma, Suresh K.; Panda, Pritam Kumar; Kumari, Puja; Patel, Paritosh et al.

    Determining factors for the nano-biocompatibility of cobalt oxide nanoparticles: proximal discrepancy in intrinsic atomic interactions at differential vicinage

    Ingår i Green Chemistry, s. 3439-3458, 2021.

  • Ageev, Dmitry S.; Bagrov, Andrey A.; Iliasov, Askar A.

    Deterministic chaos and fractal entropy scaling in Floquet conformal field theories

    Ingår i Physical Review B, 2021.

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

    Diamagnetic and paramagnetic Meissner effect from odd-frequency pairing in multiorbital superconductors

    Ingår i Physical Review B, 2021.

    Open access
  • Streib, Simon

    Difference between angular momentum and pseudoangular momentum

    Ingår i Physical Review B, 2021.

    Open access
  • Rowan-Robinson, Richard M.; Hurst, Jerome; Ciuciulkaite, Agne; Chioar, Ioan-Augustin et al.

    Direction-Sensitive Magnetophotonic Surface Crystals

    Ingår i Advanced Photonics Research, 2021.

  • Löthman, Tomas; Triola, Christopher; Cayao, Jorge; Black-Schaffer, Annica M.

    Disorder-robust p-wave pairing with odd-frequency dependence in normal metal-conventional superconductor junctions

    Ingår i Physical Review B, 2021.

    Open access
  • Lakhani, Krupa; Kansara, Shivam; Gupta, Sanjeev K.; Sonvane, Yogesh et al.

    Dissociation of air pollutants on the uniform surface of pentagonal BeP2

    Ingår i Applied Surface Science, 2021.

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

    Distinguishing trivial and topological zero-energy states in long nanowire junctions

    Ingår i Physical Review B, 2021.

    Open access
  • Mi, Tran Yen; Khanh, Nguyen Duy; Ahuja, Rajeev; Tien, Nguyen Thanh

    Diverse structural and electronic properties of pentagonal SiC2 nanoribbons: A first-principles study

    Ingår i Materials Today Communications, 2021.

  • Majumdar, Arnab; Chowdhury, Suman; Ahuja, Rajeev

    Drastic reduction of thermal conductivity in hexagonal AX (A = Ga, In & Tl, X = S, Se & Te) monolayers due to alternative atomic configuration

    Ingår i Nano Energy, 2021.

    Open access
  • Sato, Takuma; Yu, Weichao; Streib, Simon; Bauer, Gerrit E. W.

    Dynamic magnetoelastic boundary conditions and the pumping of phonons

    Ingår i Physical Review B, 2021.

  • Esteban-Puyuelo, Raquel

    Dynamics of excited electronic states in functional materials

    Open access
  • Sahu, Mousam Charan; Mallik, Sameer Kumar; Sahoo, Sandhyarani; Gupta, Sanjeev K. et al.

    Effect of Charge Injection on the Conducting Filament of Valence Change Anatase TiO2 Resistive Random Access Memory Device

    Ingår i Journal of Physical Chemistry Letters, s. 1876-1884, 2021.

  • Alhanash, Mirna

    Effect of Electronic Exchange-Correlation Interaction in the Physics of Ion Insertion in Organic Salts

    2021.

    Open access
  • karabetoglu, Sevan; Ozturk, Z Fatih; Kaslilar, Ayse; Juhlin, C et al.

    Effect of Geological Formations on Thermal Performance Modelling of a Deep Borehole

    2021.

  • Karabetoglu, Sevan; Ozturk, Z. Fatih; Kaslilar, Ayse; Juhlin, Christopher et al.

    Effect of layered geological structures on borehole heat transfer

    Ingår i Geothermics, 2021.

    Open access
  • Schonecker, Stephan; Li, Wei; Vitos, Levente; Li, Xiaoqing

    Effect of strain on generalized stacking fault energies and plastic deformation modes in fcc-hcp polymorphic high-entropy alloys: A first-principles investigation

    Ingår i Physical Review Materials, 2021.

    Open access
  • Cavallo, Carmen; Calcagno, Giulio; Pereira de Carvalho, Rodrigo; Sadd, Matthew et al.

    Effect of the Niobium Doping Concentration on the Charge Storage Mechanism of Mesoporous Anatase Beads as an Anode for High-Rate Li-Ion Batteries

    Ingår i ACS Applied Energy Materials, s. 215-225, 2021.

    Open access
  • Köhler, Thomas; Stolpp, Jan; Paeckel, Sebastian

    Efficient and flexible approach to simulate low-dimensional quantum lattice models with large local Hilbert spaces

    Ingår i SciPost Physics, 2021.

    Open access
  • Löthman, Tomas; Triola, Christopher; Cayao, Jorge; Black-Schaffer, Annica M.

    Efficient numerical method for evaluating normal and anomalous time-domain equilibrium Green's functions in inhomogeneous systems

    Ingår i Physical Review B, 2021.

    Open access
  • Sahoo, Sandhyarani; Sahu, Mousam Charan; Mallik, Sameer Kumar; Sharma, Neha Kapila et al.

    Electric Field-Modulated Charge Transfer in Geometrically Tailored MoX2/WX2 (X = S, Se) Heterostructures

    Ingår i The Journal of Physical Chemistry C, s. 22360-22369, 2021.

    Open access
  • Levämäki, H.; Vitos, Levente

    Electron localization function implementation in the exact muffin-tin orbitals method

    Ingår i Physical Review B, 2021.

    Open access
  • Shukla, Vivekanand; Kumawat, Rameshwar L.; Jena, Naresh K.; Pathak, Biswarup et al.

    Electronic and Transport Properties of Bilayer Phosphorene Nanojunction: Effect of Paired Substitution Doping

    Ingår i ACS APPLIED ELECTRONIC MATERIALS, s. 733-742, 2021.

    Open access
  • Bouziani, I.; Haman, Z.; Kibbou, M.; Essaoudi, I. et al.

    Electronic, optical and thermoelectric properties of two-dimensional pentagonal SiGeC4 nanosheet for photovoltaic applications: First-principles calculations

    Ingår i Superlattices and Microstructures, 2021.

  • Alhanash, Mirna

    ELECTRONIC STRUCTURE AND THERMODYNAMIC PROPERTIES OF LI-IONINSERTION IN SULFONAMIDES COMPOUNDS AS ORGANIC HIGH-ENERGY DENSITY CATHODES

    2021.

    Open access
  • Vaskivskyi, Igor; Malik, Rameez Saeed; Salemi, Leandro; Turenne, Diego et al.

    Element-Specific Magnetization Dynamics in Co-Pt Alloys Induced by Strong Optical Excitation

    Ingår i The Journal of Physical Chemistry C, s. 11714-11721, 2021.

    Open access
  • Yang, Xiaoyong; Wärnå, John P.A.; Wang, Jing; Zhang, Ping et al.

    Enhanced overall water splitting under visible light of MoSSe vertical bar WSSe heterojunction by lateral interfacial engineering

    Ingår i Journal of Catalysis, s. 18-31, 2021.

  • Samantara, Aneeya K.; Das, Jiban K.; Ratha, Satyajit; Jena, Naresh K. et al.

    Enhanced Oxygen Evolution Reaction with a Ternary Hybrid of Patronite-Carbon Nanotube-Reduced Graphene Oxide: A Synergy between Experiments and Theory

    Ingår i ACS Applied Materials and Interfaces, s. 35828-35836, 2021.

  • Panigrahi, Puspamitra; Acharya, Dilip; Selvi, Sheeba Rathina; Ahuja, Rajeev et al.

    Enhancing energy storage efficiency of lithiated carbon nitride (C7N6) monolayers under co-adsorption of H-2 and CH4

    Ingår i International journal of hydrogen energy, s. 19988-19997, 2021.

  • Tsuppayakorn-aek, Prutthipong; Phansuke, Piya; Kaewtubtim, Pungtip; Ahuja, Rajeev et al.

    Enthalpy stabilization of superconductivity in an alloying S-P-H system: First-principles cluster expansion study under high pressure

    Ingår i Computational materials science, 2021.

  • Catalano, Francesco; Nilsson, Johan

    Equation of motion truncation scheme based on partial orthogonalization

    Ingår i European Physical Journal B, 2021.

    Open access
  • Michaud, Jérôme; Mäkinen, Ilkka Henrik; Frisk, Emil; Szilva, Attila

    Evolution of Spatial Political Community Structures in Sweden 1985–2018

    Ingår i Complex Networks & Their Applications IX, s. 275-285, 2021.

  • Streib, Simon; Szilva, Attila; Borisov, Vladislav; Pereiro, Manuel et al.

    Exchange constants for local spin Hamiltonians from tight-binding models

    Ingår i Physical Review B, 2021.

    Open access
  • Yang, Xiao-Yong; Hussain, Tanveer; Wärnå, John; Xu, Zhitong et al.

    Exploring Janus MoSSe monolayer as a workable media for SOF6 decompositions sensing based on DFT calculations

    Ingår i Computational materials science, 2021.

  • Schrodi, Fabian; Cheenicode Kabeer, Fairoja; Aperis, Alex; Oppeneer, Peter M.

    Exploring multichannel superconductivity in ThFeAsN

    Ingår i Physical Review B, 2021.

    Open access
  • Li, Hu; Duan, Tianbo; Sher, Omer; Han, Yuanyuan et al.

    Fabrication of BP2T functionalized graphene via non-covalent π-π stacking interactions for enhanced ammonia detection

    Ingår i RSC Advances, s. 35982-35987, 2021.

    Open access
  • Cayao, Jorge; Triola, Christopher; Black-Schaffer, Annica M.

    Floquet engineering bulk odd-frequency superconducting pairs

    Ingår i Physical Review B, 2021.

    Open access
  • Pluengphon, Prayoonsak; Tsuppayakorn-aek, Prutthipong; Inceesungvorn, Burapat; Ahuja, Rajeev et al.

    Formation of Lightweight Ternary Polyhydrides and Their Hydrogen Storage Mechanism

    Ingår i The Journal of Physical Chemistry C, s. 1723-1730, 2021.

  • Sisman, Altug; Fransson, Jonas

    Fractional integral representation in statistical thermodynamics of confined systems

    Ingår i Physical review. E, 2021.

    Open access
  • Seifert, Tom S.; Martens, Ulrike; Radu, Florin; Ribow, Mirkow et al.

    Frequency-Independent Terahertz Anomalous Hall Effect in DyCo5, Co32Fe68, and Gd27Fe73 Thin Films from DC to 40 THz

    Ingår i Advanced Materials, 2021.

    Open access
  • Zeiger, Paul; Rusz, Jan

    Frequency-resolved frozen phonon multislice method and its application to vibrational electron energy loss spectroscopy using parallel illumination

    Ingår i Physical Review B, 2021.

    Open access
  • Cardoso, Gunther Luft; Piquini, Paulo Cesar; Ahuja, Rajeev

    From Monolayers to Nanotubes: Toward Catalytic Transition-Metal Dichalcogenides for Hydrogen Evolution Reaction

    Ingår i Energy & Fuels, s. 6282-6288, 2021.

  • Zhang, Jiang; Kyaw, Thi Ha; Filipp, Stefan; Kwek, Leong Chuan et al.

    Geometric and holonomic quantum computation

    2021.

    Open access
  • Roondhe, Basant; Sanyal, Sankar P.; Jha, Prafulla K.; Ahuja, Rajeev et al.

    H- and T-Li2O monolayers: Latest addition to 2D flatlands

    Ingår i Applied Surface Science, 2021.

  • Singh, Deobrat; Shukla, Vivekanand; Khossossi, Nabil; Ainane, Abdelmajid et al.

    Harnessing the unique properties of MXenes for advanced rechargeable batteries

    Ingår i Journal of Physics, 2021.

    Open access
  • Borisov, Vladislav; Kvashnin, Yaroslav; Ntallis, Nikolaos; Thonig, Danny et al.

    Heisenberg and anisotropic exchange interactions in magnetic materials with correlated electronic structure and significant spin-orbit coupling

    Ingår i Physical Review B, 2021.

    Open access
  • Ljungberg Rydin, Ylva; Mattsson, Ken; Werpers, Jonatan; Sjöqvist, Erik

    High-order finite difference method for the Schrödinger equation on deforming domains

    Ingår i Journal of Computational Physics, 2021.

    Open access
  • Khossossi, Nabil; Singh, Deobrat; Banerjee, Amitava; Luo, Wei et al.

    High-Specific-Capacity and High-Performing Post-Lithium-Ion Battery Anode over 2D Black Arsenic Phosphorus

    Ingår i ACS Applied Energy Materials, s. 7900-7910, 2021.

    Open access
  • Tsuppayakorn-aek, Prutthipong; Phaisangittisakul, Nakorn; Ahuja, Rajeev; Bovornratanaraks, Thiti

    High-temperature superconductor of sodalite-like clathrate hafnium hexahydride

    Ingår i Scientific Reports, 2021.

    Open access
  • Vieira, Rafael Martinho; Eriksson, Olle; Bergman, Anders; Herper, Heike C.

    High-throughput compatible approach for entropy estimation in magnetocaloric materials: FeRh as a test case

    Ingår i Journal of Alloys and Compounds, 2021.

    Open access
  • Aslam, Muhammad Kashif; Niu, Yubin; Hussain, Tanveer; Tabassum, Hassina et al.

    How to avoid dendrite formation in metal batteries: Innovative strategies for dendrite suppression

    Ingår i Nano Energy, 2021.

  • Mahida, H. R.; Singh, Deobrat; Sonvane, Yogesh; Gupta, Sanjeev K. et al.

    Hydrogenation and oxidation enhances the thermoelectric performance of Si2BN monolayer

    Ingår i New Journal of Chemistry, s. 3892-3900, 2021.

    Open access
  • Cao, Peiyu; Tian, Fuyang; Li, Wei; Vitos, Levente et al.

    Ideal superelasticity in Ni-based Heusler alloys

    Ingår i Acta Materialia, 2021.

  • Patel, Abhishek; Singh, Deobrat; Sonvane, Yogesh; Thakor, P. B. et al.

    Impact of stacking on the optoelectronic properties of 2D ZrS2/GaS heterostructure

    Ingår i Materials today, s. 526-528, 2021.

  • Björnson, Kristofer; Wills, John Michael; Alouani, Mebarek; Grånäs, Oscar et al.

    In Situ Pseudopotentials for Electronic Structure Theory

    Ingår i The Journal of Physical Chemistry C, s. 15103-15111, 2021.

    Open access
  • Mondal, Ritwik; Oppeneer, Peter M.

    Influence of intersublattice coupling on the terahertz nutation spin dynamics in antiferromagnets

    Ingår i Physical Review B, 2021.

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

    Influence of phonon renormalization in Eliashberg theory for superconductivity in two- and three-dimensional systems

    Ingår i Physical Review B, 2021.

    Open access
  • Jha, Ealisha; Panda, Pritam Kumar; Patel, Paritosh; Kumari, Puja et al.

    Intrinsic atomic interaction at molecular proximal vicinity infer cellular biocompatibility of antibacterial nanopepper

    Ingår i Nanomedicine, s. 307-322, 2021.

  • Dong, Zhihua; Li, Wei; Schoenecker, Stephan; Jiang, Bin et al.

    Invariant plastic deformation mechanism in paramagnetic nickel-iron alloys

    Ingår i Proceedings of the National Academy of Sciences of the United States of America, 2021.

  • Ma, Jiang; Fang, Zhiwei; Yang, Xiaoyong; Wang, Bo et al.

    Investigating hollandite-perovskite composite ceramics as a potential waste form for immobilization of radioactive cesium and strontium

    Ingår i Journal of Materials Science, s. 9644-9654, 2021.

  • Bagrov, Andrey A.; Iliasov, Askar A.; Westerhout, Tom

    Kinetic samplers for neural quantum states

    Ingår i Physical Review B, 2021.

    Open access
  • Wang, Shanlin; Zhao, Xiaofeng; Teng, Yuancheng; Chen, Xintao et al.

    Large-Scale Fabrication of Wettability-Controllable Coatings for Optimizing Condensate Transfer Ability

    Ingår i Langmuir, s. 2476-2484, 2021.

  • Edin, Emil; Blomqvist, Andreas; Luo, Wei; Ahuja, Rajeev

    Large-Scale Screening of Interface Parameters in the WC/W System Using Classical Force Field and First-Principles Calculations

    Ingår i The Journal of Physical Chemistry C, s. 3631-3639, 2021.

    Open access
  • Luft Cardoso, Günther; Piquini, Paulo Cesar; Khossossi, Nabil; Ahuja, Rajeev

    Lithium-functionalized boron phosphide nanotubes (BPNTs) as an efficient hydrogen storage carrier

    Ingår i International journal of hydrogen energy, s. 20586-20593, 2021.

  • Dan, Tinku; Mohanty, Ashutosh; Dutta, Anirban; Varma, Rahul Mahavir et al.

    Local structural evolution in the anionic solid solution ZnSexS1-x

    Ingår i Physical Review B, 2021.

  • Arora, Monika; Delczeg-Czirjak, Erna K.; Riley, Grant; Silva, T. J. et al.

    Magnetic Damping in Polycrystalline Thin-Film Fe-V Alloys

    Ingår i Physical Review Applied, 2021.

  • Gorbatov, O. , I; Johansson, G.; Jakobsson, A.; Mankovsky, S. et al.

    Magnetic exchange interactions in yttrium iron garnet: A fully relativistic first-principles investigation

    Ingår i Physical Review B, 2021.

    Open access
  • Ntallis, Nikolaos; Bergman, Anders; Delin, Anna; Eriksson, Olle et al.

    Majority gate for two-dimensional ferromagnets lacking inversion symmetry

    Ingår i Physical Review Research, 2021.

    Open access
  • Ji, Shaozheng; Grånäs, Oscar; Weissenrieder, Jonas

    Manipulation of Stacking Order in Td-WTe2 by Ultrafast Optical Excitation

    Ingår i ACS Nano, s. 8826-8835, 2021.

    Open access
  • Singh, Deobrat; Gupta, Sanjeev K.; Seriani, Nicola; Lukacevic, Igor et al.

    Mechanism of formaldehyde and formic acid formation on (101)-TiO2@Cu-4 systems through CO2 hydrogenation

    Ingår i Sustainable Energy & Fuels, s. 564-574, 2021.

    Open access
  • Miranda, I. P.; Klautau, A. B.; Bergman, Anders; Thonig, Danny et al.

    Mechanisms behind large Gilbert damping anisotropies

    Ingår i Physical Review B, 2021.

  • Boota, Muhammad; Hussain, Tanveer; Yang, Long; Becuwe, Matthieu et al.

    Mechanistic Understanding of the Interactions and Pseudocapacitance of Multi-Electron Redox Organic Molecules Sandwiched between MXene Layers

    Ingår i Advanced Electronic Materials, 2021.

  • Bhuyan, Prabal Dev; Gupta, Sanjeev K.; Ahuja, Rajeev; Gajjar, P. N.

    Metallic one-dimensional heterostructure for gas molecule sensing

    Ingår i Scientific Reports, 2021.

    Open access
  • Dong, Zhihua; Huang, Shuo; Ström, Valter; Chai, Guocai et al.

    MnxCr0.3Fe0.5Co0.2Ni0.5Al0.3 high entropy alloys for magnetocaloric refrigeration near room temperature

    Ingår i Journal of Materials Science & Technology, s. 15-20, 2021.

  • Singh, Deobrat; Khossossi, Nabil; Ainane, Abdelmajid; Ahuja, Rajeev

    Modulation of 2D GaS/BTe vdW heterostructure as an efficient HER catalyst under external electric field influence

    Ingår i Catalysis Today, s. 14-25, 2021.

    Open access
  • Elfawy, Hasnaa A.; Anupriya, S.; Mohanty, Swabhiman; Patel, Paritosh et al.

    Molecular toxicity of Benzo(a)pyrene mediated by elicited oxidative stress infer skeletal deformities and apoptosis in embryonic zebrafish

    Ingår i Science of the Total Environment, 2021.

  • Dupont, M.; Kvashnin, Yaroslav; Shiranzaei, Mahroo; Fransson, Jonas et al.

    Monolayer CrCl3 as an Ideal Test Bed for the Universality Classes of 2D Magnetism

    Ingår i Physical Review Letters, 2021.

  • Gerasimov, Arsenii; Nordström, Lars; Khmelevskyi, Sergii; Mazurenko, Vladimir V. et al.

    Nature of the magnetic moment of cobalt in ordered FeCo alloy

    Ingår i Journal of Physics, 2021.

  • Löthman, Tomas; Schmidt, Johann; Parhizgar, Fariborz; Black-Schaffer, Annica M.

    Nematic superconductivity in magic-angle twisted bilayer graphene from atomistic modeling

    2021.

  • Zhang, Hongni; Du, Wenzheng; Zhang, Jianjun; Ahuja, Rajeev et al.

    Nitrogen-Containing Gas Sensing Properties of 2-D Ti2N and Its Derivative Nanosheets: Electronic Structures Insight

    Ingår i Nanomaterials, 2021.

    Open access
  • Sinelnikova, Anna; Van der Spoel, David

    NMR Refinement and Peptide Folding Using the GROMACS Software

    Ingår i Journal of Biomolecular NMR, s. 143-149, 2021.

    Open access
  • Kaewmaraya, T.; Ngamwongwan, L.; Moontragoon, P.; Jarernboon, W. et al.

    Novel green phosphorene as a superior chemical gas sensing material

    Ingår i Journal of Hazardous Materials, 2021.

  • Chakraborty, Debmalya; Black-Schaffer, Annica M.

    Odd-frequency pair density wave correlations in underdoped cuprates

    Ingår i New Journal of Physics, 2021.

    Open access
  • Gonzalez-Garnica, Marisol; Galdamez-Martinez, Andres; Malagon, Francisco; Ramos, C. D. et al.

    One dimensional Au-ZnO hybrid nanostructures based CO2 detection: Growth mechanism and role of the seed layer on sensing performance

    Ingår i Sensors and actuators. B, Chemical, 2021.

  • Galler, Anna; Thunström, Patrik

    Orbital and electronic entanglement in quantum teleportation schemes

    Ingår i Physical Review Research, 2021.

    Open access
  • Mirjolet, Mathieu; Vasili, Hari Babu; Valadkhani, Adrian; Santiso, Jose et al.

    Orbital occupancy and hybridization in strained SrVO3 epitaxial films

    Ingår i Physical Review Materials, 2021.

  • Björnson, Kristofer; Kreisel, Andreas; Römer, Astrid T.; Andersen, Brian M.

    Orbital-dependent self-energy effects and consequences for the superconducting gap structure in multiorbital correlated electron systems

    Ingår i Physical Review B, 2021.

  • Marattukalam, JJ; Larsson, L; Hjörvarsson, Björgvin; Ferraz, Natalia et al.

    Osteoblastic cell response to an additively manufactured zirconium-based bulk metallic glass

    Ingår i 31st Conference of the European Society for Biomaterials., 2021.

  • Shahcheraghi, Seyed Hossein; Aljabali, Alaa A. A.; Al Zoubi, Mazhar S.; Mishra, Vijay et al.

    Overview of key molecular and pharmacological targets for diabetes and associated diseases

    Ingår i Life Sciences, 2021.

  • Lyon, Keenan; Rusz, Jan

    Parameterization of magnetic vector potentials and fields for efficient multislice calculations of elastic electron scattering

    Ingår i ACTA CRYSTALLOGRAPHICA A - FOUNDATION AND ADVANCES, s. 509-518, 2021.

    Open access
  • Knut, Ronny; Malik, Rameez Saeed; Kons, C.; Shoup, J. et al.

    Perpendicular and In-Plane Hole Asymmetry in a Strained NiFe2Ofilm

    Ingår i Journal of Physics, 2021.

  • Berge, Siri Alva

    Phase Diagrams of Finite Spin Chains with Coupled Spin and Lattice Vibrations

    2021.

    Open access
  • Verma, Ashok K.; Modak, P.; Schrodi, Fabian; Aperis, Alex et al.

    Phonon-mode specific contributions to room-temperature superconductivity in atomic hydrogen at high pressures

    Ingår i Physical Review B, 2021.

    Open access
  • Hoecht, Jonas

    Phonon-modulated x-ray absorption in SrTiO3

    2021.

    Open access
  • Jonsson, Viktor; Piazza, Luca; Mansson, Martin; Weissenrieder, Jonas et al.

    Photoelectron dispersion in metallic and insulating VO2 thin films

    Ingår i Physical Review Research, 2021.

    Open access
  • Sinelnikova, Anna

    Polymer and Protein Physics: Simulations of Interactions and Dynamics

    Open access
  • Singh, Deobrat; Ahuja, Rajeev

    Polypeptoid Material as an Anchoring Material for Li-S Batteries

    Ingår i ACS Applied Energy Materials, s. 13070-13076, 2021.

    Open access
  • Somaiya, Radha N.; Singh, Deobrat; Sonvane, Yogesh; Gupta, Sanjeev K. et al.

    Potential SiX (X = N, P, As, Sb, Bi) homo-bilayers for visible-light photocatalyst applications

    Ingår i Catalysis Science & Technology, s. 4996-5013, 2021.

  • Li, Changle; Lu, Song; Vitos, Levente

    Predicting grain boundary energies of complex alloys from ab initio calculations

    Ingår i Scripta Materialia, 2021.

    Open access
  • Verma, Ashok K.; Modak, Paritosh; Schrodi, Fabian; Aperis, Alex et al.

    Prediction of an unusual trigonal phase of superconducting LaH10 stable at high pressures

    Ingår i Physical Review B, 2021.

    Open access
  • Wang, Duo; Shaikh, Monirul; Ghosh, Saurabh; Sanyal, Biplab

    Prediction of half-metallic ferrimagnetic quadruple perovskites ACu(3)Fe(2)Re(2)O(12) (A = Ca, Sr, Ba, Pb, Sc, Y, La) with high Curie temperatures

    Ingår i Physical Review Materials, 2021.

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

    Pressure-driven structural and spin-state transition in a Hofmann clathrate coordination polymer

    Ingår i Journal of Magnetism and Magnetic Materials, 2021.

  • Gallego-Parra, Samuel; Gomis, Oscar; Vilaplana, Rosario; Paula Cuenca-Gotor, Vanesa et al.

    Pressure-induced order-disorder transitions in beta-In2S3: an experimental and theoretical study of structural and vibrational properties

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 23625-23642, 2021.

  • Tian, Ruifeng; Zhao, Shijing; Li, Junkai; Chen, Zhibin et al.

    Pressure-promoted highly-ordered Fe-doped-Ni2B for effective oxygen evolution reaction and overall water splitting

    Ingår i Journal of Materials Chemistry A, s. 6469-6475, 2021.

  • Sinelnikova, Anna; Mandl, Thomas; Agelii, Harald; Grånäs, Oscar et al.

    Protein orientation in time-dependent electric fields: orientation before destruction

    Ingår i Biophysical Journal, s. 3709-3717, 2021.

    Open access
  • Xiao, Shuyang; Borisov, Vladislav; Gorgen-Lesseux, Guilherme; Rommel, Sarshad et al.

    Pseudoelasticity of SrNi2P2 Micropillar via Double Lattice Collapse and Expansion

    Ingår i Nano Letters, s. 7913-7920, 2021.

    Open access
  • Shaw, Justin M.; Knut, Ronny; Armstrong, Abigail; Bhandary, Sumanta et al.

    Quantifying Spin-Mixed States in Ferromagnets

    Ingår i Physical Review Letters, 2021.

  • Salemi, Leandro; Berritta, Marco; Oppeneer, Peter M.

    Quantitative comparison of electrically induced spin and orbital polarizations in heavy-metal/3d-metal bilayers

    Ingår i Physical Review Materials, 2021.

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

    Quantum shape oscillations in the thermodynamic properties of confined electrons in core–shell nanostructures

    Ingår i Journal of Physics, 2021.

  • Jovanovic, Aleksandar Z.; Mentus, Slavko V.; Skorodumova, Natalia V.; Pasti, Igor A.

    Reactivity Screening of Single Atoms on Modified Graphene Surface: From Formation and Scaling Relations to Catalytic Activity

    Ingår i Advanced Materials Interfaces, 2021.

  • Rahmani, Neda; Ghazi, M. E.; Izadifard, Morteza; Sanyal, Biplab

    Realizing ferromagnetic insulators in electron doped double perovskites Sr(2-x)AxMnVO(6); A = Sn, Bi

    Ingår i Journal of Magnetism and Magnetic Materials, 2021.

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

    Realizing nonadiabatic holonomic quantum computation beyond the three-level setting

    Ingår i Physical Review A. Atomic, Molecular, and Optical Physics, 2021.

    Open access
  • Tang, Jiayuan; Teng, Yuancheng; Chen, Yuan; Zhao, Xiaofeng et al.

    Reduction of the sintering temperature and dielectric loss of the CCTO ceramic by doping tellurite glass

    Ingår i Ceramics International, s. 10006-10012, 2021.

  • Arabchigavkani, N.; Somphonsane, R.; Ramamoorthy, H.; He, G. et al.

    Remote Mesoscopic Signatures of Induced Magnetic Texture in Graphene

    Ingår i Physical Review Letters, 2021.

    Open access
  • Sinelnikova, Anna; Mandl, Thomas; Östlin, Christofer; Grånäs, Oscar et al.

    Reproducibility in the unfolding process of protein induced by an external electric field

    Ingår i Chemical Science, s. 2030-2038, 2021.

    Open access
  • Löthman, Tomas

    Robust Platforms for Superconductivity: Disorder Robustness and Topological Density of States Peaks

    Open access
  • Esteban-Puyuelo, Raquel; Sanyal, Biplab

    Role of defects in ultrafast charge recombination in monolayer MoS2

    Ingår i Physical Review B, 2021.

    Open access
  • Mallik, Sameer Kumar; Sahoo, Sandhyarani; Sahu, Mousam Charan; Gupta, Sanjeev K. et al.

    Salt-assisted growth of monolayer MoS2 for high-performance hysteresis-free field-effect transistor

    Ingår i Journal of Applied Physics, 2021.

  • Panigrahi, Puspamitra; Desai, Manish; Talari, Murali Krishna; Bae, Hyeonhu et al.

    Selective decoration of nitrogenated holey graphene (C2N) with titanium clusters for enhanced hydrogen storage application

    Ingår i International journal of hydrogen energy, s. 7371-7380, 2021.

  • Baljozovic, Milos; Liu, Xunshan; Popova, Olha; Girovsky, Jan et al.

    Self-Assembly and Magnetic Order of Bi-Molecular 2D Spin Lattices of M(II,III) Phthalocyanines on Au(111)

    Ingår i MAGNETOCHEMISTRY, 2021.

    Open access
  • Schrodi, Fabian

    Selfconsistent theory of superconductivity in unconventional superconductors

    Open access
  • Bovornratanaraks, Thipok; Ahuja, Rajeev; Tsuppayakorn-aek, Prutthipong

    Semiconducting phase of hafnium dioxide under high pressure: a theoretical study by quasi-particle GW calculations

    Ingår i MATERIALS RESEARCH EXPRESS, 2021.

    Open access
  • Gregefalk, Anton; Sjöqvist, Erik

    Shortcuts to adiabaticity in spin echo

    2021.

    Open access
  • Liu, Bo; Xiao, Huijuan; Siemann, Gesa; Weber, Jonathan et al.

    Signature of magnon polarons in electron relaxation on terbium revealed by comparison with gadolinium

    Ingår i Physical Review B, 2021.

  • Paul, Ganesh C.; Islam, S. K. Firoz; Dutta, Paramita; Saha, Arijit

    Signatures of interfacial topological chiral modes via RKKY exchange interaction in Dirac and Weyl systems

    Ingår i Physical Review B, 2021.

  • Zeiger, Paul; Rusz, Jan

    Simulations of spatially and angle-resolved vibrational electron energy loss spectroscopy for a system with a planar defect

    Ingår i Physical Review B, 2021.

    Open access
  • Ali, Hasan; Rusz, Jan; Warnatz, Tobias; Hjörvarsson, Björgvin et al.

    Simultaneous mapping of EMCD signals and crystal orientations in a transmission electron microscope

    Ingår i Scientific Reports, 2021.

    Open access
  • Mondal, Ritwik; Kamra, Akashdeep

    Spin pumping at terahertz nutation resonances

    Ingår i Physical Review B, 2021.

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

    Stabilization and electronic topological transition of hydrogen-rich metal Li5MoH11 under high pressures from first-principles predictions

    Ingår i Scientific Reports, 2021.

    Open access
  • Haman, Z.; Kibbou, M.; Bouziani, I; Benhouria, Y. et al.

    Structural, electronic and optical properties of two-dimensional Janus transition metal oxides MXO (M = Ti, Hf and Zr; X = S and Se) for photovoltaic and opto-electronic applications

    Ingår i Physica. B, Condensed matter, 2021.

  • Chen, Xingqi; Esteban-Puyuelo, Raquel; Li, Linyang; Sanyal, Biplab

    Structural phase transition in monolayer gold(I) telluride: From a room-temperature topological insulator to an auxetic semiconductor

    Ingår i Physical Review B, 2021.

    Open access
  • Tsuppayakorn-aek, Prutthipong; Ektarawong, Annop; Jimlim, Pornmongkol; Kanchanavatee, Noravee et al.

    Structural predictions of superconducting phase in tungsten ditellurides WTe2 from first-principles evolutionary techniques under high pressure

    Ingår i Computational materials science, 2021.

  • Pereira de Carvalho, Rodrigo; Marchiori, Cleber F.N.; Mihali, Viorica-Alina; Renault, Steven et al.

    Structure-property relationships in organic battery anode materials: exploring redox reactions in crystalline Na- and Li-benzene diacrylate using combined crystallography and density functional theory calculations

    Ingår i MATERIALS ADVANCES, s. 1024-1034, 2021.

    Open access
  • Awoga, Oladunjoye

    Studies of Topological Superconductors via Defects

    Open access
  • Lange, Gunnar F.; Bouhon, Adrien; Slager, Robert-Jan

    Subdimensional topologies, indicators, and higher order boundary effects

    Ingår i Physical Review B, 2021.

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

    Superconductivity in spin-3/2 systems: Symmetry classification, odd-frequency pairs, and Bogoliubov Fermi surfaces

    Ingår i Physical Review Research, 2021.

    Open access
  • Gao, Chan; Yang, Xiaoyong; Jiang, Ming; Chen, Lixin et al.

    Synergistic vacancy defects and mechanical strain for the modulation of the mechanical, electronic and optical properties of monolayer tungsten disulfide

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 6298-6308, 2021.

  • Wang, Duo; Sanyal, Biplab

    Systematic Study of Monolayer to Trilayer CrI3: Stacking Sequence Dependence of Electronic Structure and Magnetism

    Ingår i The Journal of Physical Chemistry C, s. 18467-18473, 2021.

    Open access
  • Sang, Yutao; Mishra, Suryakant; Tassinari, Francesco; Karuppannan, Senthil Kumar et al.

    Temperature Dependence of Charge and Spin Transfer in Azurin

    Ingår i The Journal of Physical Chemistry C, s. 9875-9883, 2021.

    Open access
  • Tian, Li-Yun; Vitos, Levente; Lizarraga, Raquel

    Temperature effects on the elastic and thermodynamic properties of Al1-xLix and Al1-xCrx alloys from first principles

    Ingår i Physical Review Materials, 2021.

  • Lloyd-Hughes, J.; Oppeneer, Peter M.; Pereira dos Santos, T.; Schleife, A. et al.

    The 2021 ultrafast spectroscopic probes of condensed matter roadmap

    Ingår i Journal of Physics, 2021.

    Open access
  • Song, Jiao-Jiao; Luo, Yang; Zhang, Chen; Wu, Qi-Yi et al.

    The 4f-Hybridization Strength in CemMnIn3m+2n Heavy-Fermion Compounds Studied by Angle-Resolved Photoemission Spectroscopy

    Ingår i Chinese Physics Letters, 2021.

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

    The influence of temperature on the elastic properties of body-centered cubic reduced activation steels

    Ingår i Materials & design, 2021.

    Open access
  • Chesnokov, Andrei; Gryaznov, Denis; Skorodumova, Natalia V.; Kotomin, Eugene A. et al.

    The local atomic structure and thermoelectric properties of Ir-doped ZnO: hybrid DFT calculations and XAS experiments dagger

    Ingår i Journal of Materials Chemistry C, s. 4948-4960, 2021.

  • Redwan, Elrashdy M.; Alghamdi, Mohammed F.; Abd El-Aziz, Tarek Mohamed; Adadi, Parise et al.

    The mechanism behind flaring/triggering of autoimmunity disorders associated with COVID-19

    Ingår i Autoimmunity Reviews, 2021.

  • Yang, Zhibiao; Dai, Chengren; Sun, Jian; Lu, Song et al.

    Theoretically exploring covalent bonding effect on deformability of B2/β Ti (AlxNb1-x) phase

    Ingår i Computational materials science, 2021.

  • Khossossi, Nabil; Banerjee, Amitava; Essaoudi, Ismail; Ainane, Abdelmajid et al.

    Thermodynamics and kinetics of 2D g-GeC monolayer as an anode materials for Li/Na-ion batteries

    Ingår i Journal of Power Sources, 2021.

    Open access
  • Dong, Zhihua; Li, Wei; Jiang, Bin; Li, Qian et al.

    Thermo-mechanical properties of Cr-Co-Ni alloys from longitudinal spin fluctuation theory

    Ingår i Applied Physics Letters, 2021.

  • Mondal, Ritwik

    Theroy of magnetic inertial dynamics in two-sublattice ferromagnets

    Ingår i Journal of Physics, 2021.

    Open access
  • Wang, Kuan; Hu, Qing; Gao, Bin; Lin, Qi et al.

    Threshold switching memristor-based stochastic neurons for probabilistic computing

    Ingår i Materials Horizons, s. 619-629, 2021.

  • Bouhon, Adrien; Lange, Gunnar F.; Slager, Robert-Jan

    Topological correspondence between magnetic space group representations and subdimensions

    Ingår i Physical Review B, 2021.

  • Thunström, Patrik; Held, K.

    Topology of SmB6 determined by dynamical mean field theory

    Ingår i Physical Review B, 2021.

    Open access
  • Wang, Ci; Schonecker, Stephan; Li, Wei; Yang, Yaochun et al.

    Twinning pathways in Fe and Fe-Cr alloys from first-principles theory

    Ingår i Acta Materialia, 2021.

  • Panigrahi, Puspamitra; Jini, D.; Bae, Hyeonhu; Lee, Hoonkyung et al.

    Two-dimensional Janus monolayers of MoSSe as promising sensor towards selected adulterants compounds

    Ingår i Applied Surface Science, 2021.

  • Bouziani, I.; Kibbou, M.; Haman, Z.; Khossossi, N. et al.

    Two-dimensional Janus Sn2SSe and SnGeS2 semiconductors as strong absorber candidates for photovoltaic solar cells: First principles computations

    Ingår i Physica. E, Low-Dimensional systems and nanostructures, 2021.

  • Chen, Xin; Li, Linyang; Peeters, Francois M.; Sanyal, Biplab

    Two-dimensional oxygen functionalized honeycomb and zigzag dumbbell silicene with robust Dirac cones

    Ingår i New Journal of Physics, 2021.

    Open access
  • Dannegger, Tobias; Berritta, Marco; Carva, Karel; Selzer, Severin et al.

    Ultrafast coherent all-optical switching of an antiferromagnet with the inverse Faraday effect

    Ingår i Physical Review B, 2021.

  • Malik, Rameez Saeed; Delczeg-Czirjak, Erna Krisztina; Knut, Ronny; Thonig, D. et al.

    Ultrafast magnetization dynamics in the half-metallic Heusler alloy Co2FeAl

    Ingår i Physical Review B, 2021.

    Open access
  • Raval, Dhara; Babariya, Bindiya; Gupta, Sanjeev K.; Gajjar, P. N. et al.

    Ultrahigh carrier mobility and light-harvesting performance of 2D penta-PdX2 monolayer

    Ingår i Journal of Materials Science, s. 3846-3860, 2021.

  • Damas, Giane; Costa, Luciano T.; Ahuja, Rajeev; Araujo, Carlos Moyses

    Understanding carbon dioxide capture on metal-organic frameworks from first-principles theory: The case of MIL-53(X), with X = Fe3+, Al3+, and Cu2+

    Ingår i Journal of Chemical Physics, 2021.

    Open access
  • Mommers, Cornelis, J. G.; Sjöqvist, Erik

    Universal quantum computation and quantum error correction using discrete holonomies

    2021.

    Open access
  • Mommers, Cornelis Johannes Gerardus

    Universal Quantum Computation Using Discrete Holonomies

    2021.

    Open access
  • Huang, Shuo; Dong, Zhihua; Dastanpour, Esmat; Strom, Valter et al.

    Vibrational entropy-enhanced magnetocaloric effect in Mn-rich high-entropy alloys

    Ingår i Applied Physics Letters, 2021.

  • Wang, Xin-Xin; Ji, Hefei; Li, Zi; Zhu, Lijun et al.

    What is the Role of Nb on Preferential Hydriding of Double-Phased Uranium, Stabilizing gamma-U, or Avoiding Hydrogen Aggregation?

    Ingår i The Journal of Physical Chemistry C, s. 9364-9370, 2021.

  • Sahoo, Bikash R.; Panda, Pritam Kumar; Liang, Wenguang; Tang, Wei-Jen et al.

    y Degradation of Alzheimer's Amyloid-beta by a Catalytically Inactive Insulin-Degrading Enzyme

    Ingår i Journal of Molecular Biology, 2021.

    Open access
  • Zhao, XiaoFeng; Panda, Pritam Kumar; Singh, Deobrat; Yang, Xiaoyong et al.

    2D g-C3N4 monolayer for amino acids sequencing

    Ingår i Applied Surface Science, 2020.

  • Mishra, Pushkar; Singh, Deobrat; Sonvane, Yogesh; Ahuja, Rajeev

    2D Monolayer Boron Sulfide as an Efficient Material for Optical Nanodevices

    Ingår i 3rd international conference on condensed matter & applied physics (ICC-2019), 2020.

  • Xiong, Sangqi; Li, Xin; Wu, Xiangwei; Yu, Jin et al.

    A combined machine learning and density functional theory study of binary Ti-Nb and Ti-Zr alloys: Stability and Young's modulus

    Ingår i Computational materials science, 2020.

  • Allal, Adel; Halit, Mohamed; Saib, Salima; Azzouz, Lahcene et al.

    A comparative theoretical investigation of optoelectronic and mechanical properties of KYS2 and KLaS2

    Ingår i Materials Science in Semiconductor Processing, 2020.

  • Michaud, Jérôme

    A Game Theoretic Perspective on the Utterance Selection Model for Language Change

    Ingår i The Evolution of Language, 2020.

    Open access
  • Caleman, Carl; Junior, Francisco Jares; Grånäs, Oscar; Martin, Andrew, V

    A Perspective on Molecular Structure and Bond-Breaking in Radiation Damage in Serial Femtosecond Crystallography

    Ingår i Crystals, 2020.

    Open access
  • Bouziani, I.; Haman, Z.; Kibbou, M.; Benhouria, Y. et al.

    Ab initio study of electronic and optical properties of penta-SiC2 and-SiGeC4 monolayers for solar energy conversion

    Ingår i Superlattices and Microstructures, 2020.

  • Yang, Yaochun; Zhang, Hualei; Sun, Qiaoyan; Hu, Qing-Miao et al.

    Ab initio study of the elastic properties of body-centered cubic Ti-Mo-based alloys

    Ingår i Computational materials science, 2020.

  • Östlin, A.; Zhang, Y.; Terletska, H.; Beiuseanu, F. et al.

    Ab initio typical medium theory of substitutional disorder

    Ingår i Physical Review B, 2020.

    Open access
  • Kumberg, I; Golias, E.; Pontius, N.; Hosseinifar, R. et al.

    Accelerating the laser-induced demagnetization of a ferromagnetic film by antiferromagnetic order in an adjacent layer

    Ingår i Physical Review B, 2020.

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

    Altering the reactivity of pristine, N- and P-doped graphene by strain engineering: A DFT view on energy related aspects

    Ingår i Applied Surface Science, 2020.

  • Vrube, Ivan I.; Pervishko, Anastasiia A.; Herper, Heike C.; Brena, Barbara et al.

    An ab initio perspective on scanning tunneling microscopy measurements of the tunable Kondo resonance of the TbPc2 molecule on a gold substrate

    Ingår i Physical Review B, 2020.

  • Jana, Somnath; Malik, Rameez S.; Kvashnin, Yaroslav O.; Locht, Inka L. M. et al.

    Analysis of the linear relationship between asymmetry and magnetic moment at the M edge of 3d transition metals

    Ingår i Physical Review Research, 2020.

    Open access
  • Iliasov, Askar; Bagrov, Andrey A.; Katsnelson, Mikhail I.; Krikun, Alexander

    Anisotropic destruction of the Fermi surface in inhomogeneous holographic lattices

    Ingår i Journal of High Energy Physics (JHEP), 2020.

    Open access
  • Bajaj, Ashima; Kaur, Prabhleen; Sud, Aakanksha; Berritta, Marco et al.

    Anomalous Effect of Quantum Interference in Organic Spin Filters

    Ingår i The Journal of Physical Chemistry C, s. 24361-24371, 2020.

  • Ali, Hasan; Negi, Devendra Singh; Warnatz, Tobias; Hjörvarsson, Björgvin et al.

    Atomic resolution energy-loss magnetic chiral dichroism measurements enabled by patterned apertures

    Ingår i Physical Review Research, 2020.

    Open access
  • Damas, Giane B.

    Atomic Scale Modelling in Photoelectrocatalysis: Towards the Development of Efficient Materials for Solar Fuel Production

    Open access
  • Naqvi, S. Rabab

    Atomistic Modelling of Low Dimensional Materials for Energy Harvesting and Gas Sensing Applications

    Open access
  • Kumari, Shalini; Kumari, Puja; Panda, Pritam Kumar; Patel, Paritosh et al.

    Biocompatible biogenic silver nanoparticles interact with caspases on an atomic level to elicit apoptosis

    Ingår i Nanomedicine, s. 2119-2132, 2020.

  • Tang, Hu; Gao, Xiang; Zhang, Jian; Gao, Bo et al.

    Boron-Rich Molybdenum Boride with Unusual Short-Range Vacancy Ordering, Anisotropic Hardness, and Superconductivity

    Ingår i Chemistry of Materials, s. 459-467, 2020.

  • Patel, Abhishek; Singh, Deobrat; Sonvane, Yogesh; Thakor, P. B. et al.

    Bulk and monolayer As2S3 as promising thermoelectric material with high conversion performance

    Ingår i Computational materials science, 2020.

    Open access
  • Tamura, Shun; Nakosai, Sho; Black-Schaffer, Annica M.; Tanaka, Yukio et al.

    Bulk odd-frequency pairing in the superconducting Su-Schrieffer-Heeger model

    Ingår i Physical Review B, 2020.

    Open access
  • Panigrahi, Puspamitra; Kumar, Ashok; Bae, Hyeonhu; Lee, Hoonkyung et al.

    Capacity enhancement of polylithiated functionalized boron nitride nanotubes: an efficient hydrogen storage medium

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 15675-15682, 2020.

  • Benhouria, Y.; Kibbou, M.; Khossossi, Nabil; Foshi, J. et al.

    Carbides-anti-perovskites Mn3(Sn, Zn)C: Potential candidates for an application in magnetic refrigeration

    Ingår i Physica. E, Low-Dimensional systems and nanostructures, 2020.

  • Singh, Deobrat; Shukla, Vivekanand; Panda, Pritam Kumar; Mishra, Yogendra Kumar et al.

    Carbon-phosphide monolayer with high carrier mobility and perceptible I-V response for superior gas sensing

    Ingår i New Journal of Chemistry, s. 3777-3785, 2020.

  • Aperis, Alex; Varelogiannis, Georgios

    Charge density waves beyond the Pauli paramagnetic limit in 2D systems

    Ingår i Journal of Applied Physics, 2020.

  • Huang, Shuo; Li, Wei; Eriksson, Olle; Vitos, Levente

    Chemical ordering controlled thermo-elasticity of AlTiVCr1-xNbx high-entropy alloys

    Ingår i Acta Materialia, s. 53-62, 2020.

  • Brena, Barbara; Sanyal, Biplab; Herper, Heike C.

    Chemical Switching of the Magnetic Coupling in a MnPc Dimer by Means of Chemisorption and Axial Ligands

    Ingår i The Journal of Physical Chemistry C, s. 27185-27193, 2020.

    Open access
  • Kvashnin, Yaroslav; VanGennep, D.; Mito, M.; Medvedev, S. A. et al.

    Coexistence of Superconductivity and Charge Density Waves in Tantalum Disulfide: Experiment and Theory

    Ingår i Physical Review Letters, 2020.

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

    Coherent modulation of the electron temperature and electron-phonon couplings in a 2D material

    Ingår i Proceedings of the National Academy of Sciences of the United States of America, s. 8788-8793, 2020.

  • Ageev, Dmitry S.; Bagrov, Andrey A.; Iliasov, Askar A.

    Coleman-Weinberg potential in p-adic field theory

    Ingår i European Physical Journal C, 2020.

    Open access
  • Grigoriev, Anton; Jafri, Syed Hassan Mujtaba; Leifer, Klaus

    Comment on "Quantum interference effects in biphenyl dithiol for gas detection" by J. Prasongkit and A. R. Rocha, RSC Adv., 2016, 64, 59299-59304

    Ingår i RSC Advances, s. 2073-2074, 2020.

  • Esteban-Puyuelo, Raquel; Sarma, D. D.; Sanyal, Biplab

    Complexity of mixed allotropes of MoS2 unraveled by first-principles theory

    Ingår i Physical Review B, 2020.

    Open access
  • Kovacs, Alexander; Fischbacher, Johann; Gusenbauer, Markus; Oezelt, Harald et al.

    Computational Design of Rare-Earth Reduced Permanent Magnets

    Ingår i ENGINEERING, s. 148-153, 2020.

    Open access
  • Arapan, S.; Nieves, P.; Herper, Heike C.; Legut, D.

    Computational screening of Fe-Ta hard magnetic phases

    Ingår i Physical Review B, 2020.

  • Cardoch, Sebastian

    Computational study of single protein sensing using nanopores

    2020.

    Open access
  • Larson, Jonas; Sjöqvist, Erik; Öhberg, Patrik

    Conical Intersections in Physics: An Introduction to Synthetic Gauge Theories

    Springer, 2020.

  • Kumar, Raj; Mondal, Kunal; Panda, Pritam Kumar; Kaushik, Ajeet et al.

    Core-shell nanostructures: perspectives towards drug delivery applications

    Ingår i Journal of materials chemistry. B, s. 8992-9027, 2020.

  • Li, Changle; Levämäki, Henrik; Xie, Ruiwen; Tian, Liyun et al.

    Critical assessment of Co-Cu phase diagram from first-principles calculations

    Ingår i Physical Review B, 2020.

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

    Crystallography of low Z material at ultrahigh pressure: Case study on solid hydrogen

    Ingår i MATTER AND RADIATION AT EXTREMES, 2020.

    Open access
  • Ayatollahi, Azadeh; Roknabadi, Mahmood Rezaee; Behdani, Mohammad; Shahtahmassebi, Nasser et al.

    Density functional investigations on the adsorption characteristics of nucleobases on germanene nanoribbons

    Ingår i Physica. E, Low-Dimensional systems and nanostructures, 2020.

  • Iubini, Stefano; Borlenghi, Simone; Delin, Anna; Lepri, Stefano et al.

    Dephasing-Assisted Macrospin Transport

    Ingår i Entropy, 2020.

    Open access
  • Bagrov, Andrey A.; Danilov, Mikhail; Brener, Sergey; Harland, Malte et al.

    Detecting quantum critical points in the t-t ' Fermi-Hubbard model via complex network theory

    Ingår i Scientific Reports, 2020.

    Open access
  • Paeckel, Sebastian; Fauseweh, Benedikt; Osterkorn, Alexander; Köhler, Thomas et al.

    Detecting superconductivity out of equilibrium

    Ingår i Physical Review B, 2020.

  • Bollmark, Gunnar; Laflorencie, Nicolas; Kantian, Adrian

    Dimensional crossover and phase transitions in coupled chains: Density matrix renormalization group results

    Ingår i Physical Review B, 2020.

    Open access
  • Tengdin, Phoebe; Gentry, Christian; Blonsky, Adam; Zusin, Dmitriy et al.

    Direct light-induced spin transfer between different elements in a spintronic Heusler material via femtosecond laser excitation

    Ingår i Science Advances, 2020.

    Open access
  • Li, Hu; Duan, Tianbo; Haldar, Soumyajyoti; Sanyal, Biplab et al.

    Direct Writing of Lateral Fluorographene Nanopatterns with Tunable Bandgaps and Its Application in New Generation of Moiré Superlattice

    Ingår i Applied Physics Reviews, 2020.

  • Löthman, Tomas; Triola, Christopher; Cayao, Jorge; Black-Schaffer, Annica M.

    Disorder-robust $p$-wave pairing with odd frequency dependence in normal metal-conventional superconductor junctions

    2020.

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

    Dissociated dislocation-mediated carbon transport and diffusion in austenitic iron

    Ingår i Acta Materialia, s. 43-50, 2020.

    Open access
  • Balaz, Pavel; Carva, Karel; Ritzmann, Ulrike; Maldonado, Pablo et al.

    Domain wall dynamics due to femtosecond laser-induced superdiffusive spin transport

    Ingår i Physical Review B, 2020.

  • Li, Xiaoqing; Li, Wei; Irving, Douglas L.; Varga, Lajos K. et al.

    Ductile and brittle crack-tip response in equimolar refractory high-entropy alloys

    Ingår i Acta Materialia, s. 174-187, 2020.

  • Balatsky, Alexander V.; Haraldsen, Jason T.; Black-Schaffer, Annica M.; Pertsova, Anna et al.

    Dynamic Quantum Matter

    Ingår i Annalen der Physik, 2020.

  • Zanfrognini, Matteo; Rotunno, Enzo; Rusz, Jan; Borkowski, Rafal E. Dunin et al.

    Dynamical diffraction effects in STEM orbital angular momentum resolved electron energy-loss magnetic chiral dichroism

    Ingår i Physical Review B, 2020.

  • Wang, Huan; Emanuelsson, Rikard; Banerjee, Amitava; Ahuja, Rajeev et al.

    Effect of Cycling Ion and Solvent on the Redox Chemistry of Substituted Quinones and Solvent-Induced Breakdown of the Correlation between Redox Potential and Electron-Withdrawing Power of Substituents

    Ingår i The Journal of Physical Chemistry C, s. 13609-13617, 2020.

    Open access
  • Migas, D. B.; Filonov, A. B.; Borisenko, V. E.; Skorodumova, Natalia V.

    Effect of polaron formation on electronic, charge and magnetic properties of Nb12O29

    Ingår i Journal of Alloys and Compounds, 2020.

  • Zeiger, Paul; Rusz, Jan

    Efficient and Versatile Model for Vibrational STEM-EELS

    Ingår i Physical Review Letters, 2020.

  • Löthman, Tomas; Triola, Christopher; Cayao, Jorge; Black-Schaffer, Annica M.

    Efficient numerical method for evaluating normal and anomalous time-dependent equilibrium Green’s functions in inhomogeneous systems

    2020.

  • Jakobsen, Martin F.; Naess, Kristian B.; Dutta, Paramita; Brataas, Arne et al.

    Electrical and thermal transport in antiferromagnet-superconductor junctions

    Ingår i Physical Review B, 2020.

  • Zidane, Mustapha; Salmani, El Mehdi; Majumdar, Arnab; Ez-Zahraouy, Hamid et al.

    Electrical and thermal transport properties of Fe-Ni based ternary alloys in the earth's inner core: An ab initio study

    Ingår i Physics of the Earth and Planetary Interiors, 2020.

  • de Souza, Fabio A. L.; Sivaraman, Ganesh; Fyta, Maria; Scheicher, Ralph H. et al.

    Electrically sensing Hachimoji DNA nucleotides through a hybrid graphene/h-BN nanopore

    Ingår i Nanoscale, s. 18289-18295, 2020.

    Open access
  • Mahida, H. R.; Singh, Deobrat; Panda, Pritam Kumar; Sonvane, Yogesh et al.

    Electronic and optical properties of a structural defect in 2D MgF2 monolayer

    Ingår i 3rd international conference on condensed matter & applied physics (ICC-2019), 2020.

  • Bouziani, I; Kibbou, M.; Haman, Z.; Benhouria, Y. et al.

    Electronic and optical properties of ZnO nanosheet doped and codoped with Be and/or Mg for ultraviolet optoelectronic technologies: density functional calculations

    Ingår i Physica Scripta, 2020.

  • Meng, Dongxue; Li, Mingkai; Long, Debing; Cheng, Yang et al.

    Electronic structure and dynamic properties of two-dimensional W x Mo 1?: x S 2 ternary alloys from first -principles calculations

    Ingår i Computational materials science, 2020.

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

    Eliashberg theory for spin fluctuation mediated superconductivity: Application to bulk and monolayer FeSe

    Ingår i Physical Review B, 2020.

    Open access
  • Anikina, Ekaterina; Hussain, Tanveer; Beskachko, Valery; Ahuja, Rajeev

    Elucidating hydrogen storage properties of two-dimensional siligraphene (SiC8) monolayers upon selected metal decoration

    Ingår i Sustainable Energy & Fuels, s. 5578-5587, 2020.

  • Majumdar, Arnab; Adeleke, Adebayo A.; Chakraborty, Sudip; Ahuja, Rajeev

    Emerging piezochromism in lead free alkaline earth chalcogenide perovskite AZrS3 (A = Mg, Ca, Sr and Ba) under pressure

    Ingår i Journal of Materials Chemistry C, s. 16392-16403, 2020.

    Open access
  • Majumdar, Arnab; Chakraborty, Sudip; Ahuja, Rajeev

    Emerging piezochromism in transparent lead free perovskite Rb3X2I9 (X=Sb, Bi) under compression: A comparative theoretical insight

    Ingår i Journal of Applied Physics, 2020.

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

    Enhanced Majorana bound states in magnetic chains on superconducting topological insulator edges

    Ingår i Physical Review B, 2020.

  • Mishra, Pushkar; Singh, Deobrat; Sonvane, Yogesh; Ahuja, Rajeev

    Enhancement of hydrogen storage capacity on co-functionalized GaS monolayer under external electric field

    Ingår i International journal of hydrogen energy, s. 12384-12393, 2020.

    Open access
  • Watts, Michael J.; Fiducia, Thomas A. M.; Sanyal, Biplab; Smith, Roger et al.

    Enhancement of photovoltaic efficiency in CdSexTe1-x (where 0 <= x <= 1): insights from density functional theory

    Ingår i Journal of Physics, 2020.

  • Roondhe, Basant; Sharma, Vaishali; Kagdada, Hardik L.; Singh, Dheeraj K. et al.

    Enhancing the electronic and phonon transport properties of two-dimensional hexagonal boron nitride through oxygenation: A first principles study

    Ingår i Applied Surface Science, 2020.

    Open access
  • Streib, Simon; Borisov, Vladislav; Pereiro, Manuel; Bergman, Anders et al.

    Equation of motion and the constraining field in ab initio spin dynamics

    Ingår i Physical Review B, 2020.

    Open access
  • Svensson, Pamela H.W.

    Everything you wanted to know about the TPA molecule adsorbed on Au(111)

    2020.

    Open access
  • Benhouria, Y.; Lamarti, B.; Oubelkacem, A.; Essaoudi, I. et al.

    Examination of the Magnetic Properties of the Triangular Type Mixed spin-(1/2,1) Nanowire

    Ingår i Journal of Superconductivity and Novel Magnetism, s. 817-824, 2020.

  • Mishra, Pushkar; Singh, Deobrat; Sonvane, Yogesh; Ahuja, Rajeev

    Excitonic effects in the optoelectronic properties of graphene-like BC monolayer

    Ingår i Optical materials (Amsterdam), 2020.

  • Zhao, XiaoFeng; Yang, Xiaoyong; Li, YuXiang; Ahuja, Rajeev

    Exploring the Degradation Behavior of Ce-Monazite in Water Solution through Adsorption and Penetration Kinetics

    Ingår i The Journal of Physical Chemistry C, s. 22173-22184, 2020.

  • Khossossi, Nabil; Shukla, Vivekanand; Benhouria, Younes; Essaoudi, Ismail et al.

    Exploring the Possibility of beta-Phase Arsenic-Phosphorus Polymorph Monolayer as Anode Materials for Sodium-Ion Batteries

    Ingår i Advanced theory and simulations, 2020.

  • Naqvi, Syeda Rabab; Shukla, Vivekanand; Jena, Naresh Kumar; Luo, Wei et al.

    Exploring two-dimensional M2NS2 (M = Ti, V) MXenes based gas sensors for air pollutants

    Ingår i Applied Materials Today, 2020.

  • Grånäs, Oscar; Mocellin, A.; Cardoso, E. S.; Burmeister, Florian et al.

    Femtosecond fragmentation of CS2 after sulfur 1s ionization: interplay between Auger cascade decay, charge delocalization, and nuclear motion

    Ingår i Journal of Physics B, 2020.

  • Azuri, Ido; Ali, Md. Ehesan; Tarafder, Kartick; Oppeneer, Peter M. et al.

    Fe-porphyrin on Co(001) and Cu(001): A Comparative Dispersion-augmented Density Functional Theory Study

    Ingår i Israel Journal of Chemistry, s. 870-875, 2020.

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

    Finite bulk Josephson currents and chirality blockade removal from interorbital pairing in magnetic Weyl semimetals

    Ingår i Physical Review B, 2020.

    Open access
  • Ren, Yingying; Ren, Xiaohan; Ahuja, Rajeev; Qian, Zhao

    First-principles calculations into LiAl(NH2)(4) and its derivative hydrides for potential sodium storage

    Ingår i RESULTS IN PHYSICS, 2020.

    Open access
  • Cardias, Ramon; Szilva, Attila; Bezerra-Neto, M. M.; Ribeiro, M. S. et al.

    First-principles Dzyaloshinskii-Moriya interaction in a non-collinear framework

    Ingår i Scientific Reports, 2020.

    Open access
  • Liang, Qi; Nie, Xi; Du, Wenzheng; Zhang, Pengju et al.

    First-Principles Exploration of Hazardous Gas Molecule Adsorption on Pure and Modified Al60N60 Nanoclusters

    Ingår i Nanomaterials, 2020.

    Open access
  • Yang, Yaochun; Schonecker, Stephan; Li, Wei; Wang, Ci et al.

    First-principles study of the Σ3(112) grain boundary in Fe-rich Fe-Cr alloys

    Ingår i Scripta Materialia, s. 140-143, 2020.

  • Yang, Xiaoyong; Luo, Wei; Ahuja, Rajeev

    Fluoride ion batteries: Designing flexible M2CH2 (M=Ti or V) MXenes as high-capacity cathode materials

    Ingår i Nano Energy, 2020.

  • Köhler, Thomas; Paeckel, S.; Meyer, C.; Manmana, S. R.

    Formation of spatial patterns by spin-selective excitations of interacting fermions

    Ingår i Physical Review B, 2020.

    Open access
  • Bruce, Henrik

    Formulation of Model Problem for Chirality Induced Spin Selectivity Effect

    2020.

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

    Full-bandwidth Eliashberg theory of superconductivity beyond Migdal's approximation

    Ingår i Physical Review B, 2020.

    Open access
  • Silva, Jose Luis; Brena, Barbara; Araujo, Carlos Moyses

    g-C3N4/WTe2 Hybrid Electrocatalyst for Efficient Hydrogen Evolution Reaction

    Ingår i The Journal of Physical Chemistry C, s. 8726-8735, 2020.

  • Westerhout, Tom; Astrakhantsev, Nikita; Tikhonov, Konstantin S.; Katsnelson, Mikhail, I et al.

    Generalization properties of neural network approximations to frustrated magnet ground states

    Ingår i Nature Communications, 2020.

    Open access
  • Sun, Xun; Zhang, Hualei; Li, Wei; Ding, Xiangdong et al.

    Generalized Stacking Fault Energy of Al-Doped CrMnFeCoNi High-Entropy Alloy

    Ingår i Nanomaterials, 2020.

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

    Generic Optical Excitations of Correlated Systems: pi-tons

    Ingår i Physical Review Letters, 2020.

  • Bouhon, Adrien; Bzdusek, Tomas; Slager, Robert-Jan

    Geometric approach to fragile topology beyond symmetry indicators

    Ingår i Physical Review B, 2020.

    Open access
  • Sjöqvist, Erik

    Geometric phase of very slow neutrons

    2020.

    Open access
  • Sjöqvist, Erik

    Geometry along Evolution of Mixed Quantum States

    Ingår i Physical Review Research, 2020.

    Open access
  • Baglai, Mikhail; Sokolewicz, R. J.; Pervishko, Anastasiia A.; Katsnelson, M. , I et al.

    Giant anisotropy of Gilbert damping in a Rashba honeycomb antiferromagnet

    Ingår i Physical Review B, 2020.

  • Verma, Suresh K.; Nisha, Kumari; Panda, Pritam Kumar; Patel, Paritosh et al.

    Green synthesized MgO nanoparticles infer biocompatibility by reducing in vivo molecular nanotoxicity in embryonic zebrafish through arginine interaction elicited apoptosis

    Ingår i Science of the Total Environment, 2020.

  • Roondhe, Basant; Jha, Prafulla K.; Ahuja, Rajeev

    Haeckelite boron nitride as nano sensor for the detection of hazardous methyl mercury

    Ingår i Applied Surface Science, 2020.

  • Mydosh, J. A.; Oppeneer, Peter M.; Riseborough, P. S.

    Hidden order and beyond: an experimental-theoretical overview of the multifaceted behavior of URu2Si2

    Ingår i Journal of Physics, 2020.

  • Azimi Mousolou, Vahid; Bagrov, Andrey; Bergman, Anders; Delin, Anna et al.

    Hierarchy of magnon mode entanglement in antiferromagnets

    Ingår i Physical Review B Condensed Matter, 2020.

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

    High Curie temperature in halfmetallic ferromagnets (Zn, Cr, Ti)Se and (Zn, Cr, Ti)Te for spintronic devices: Ab initio and Monte Carlo treatments

    Ingår i Materials Science & Engineering, 2020.

  • Majumdar, Arnab; Yang, Xiaoyong; Luo, Wei; Chowdhury, Suman et al.

    High exothermic dissociation in van der Waals like hexagonal two dimensional nitrogene from first-principles molecular dynamics

    Ingår i Applied Surface Science, 2020.

  • Patel, Abhishek; Singh, Deobrat; Sonvane, Yogesh; Thakor, P. B. et al.

    High Thermoelectric Performance in Two-Dimensional Janus Monolayer Material WS-X (X = Se and Te)

    Ingår i ACS Applied Materials and Interfaces, s. 46212-46219, 2020.

    Open access
  • Ritzmann, Ulrike; Balaz, Pavel; Maldonado, Pablo; Carva, Karel et al.

    High-frequency magnon excitation due to femtosecond spin-transfer torques

    Ingår i Physical Review B, 2020.

    Open access
  • Sharma, Pratigya; Sundaram, Manickam Minakshi; Singh, Deobrat; Ahuja, Rajeev

    Highly Energetic and Stable Gadolinium/Bismuth Molybdate with a Fast Reactive Species, Redox Mechanism of Aqueous Electrolyte

    Ingår i ACS Applied Energy Materials, s. 12385-12399, 2020.

  • Singh, Deobrat; Ahuja, Rajeev

    Highly Sensitive Gas Sensing Material for Environmentally Toxic Gases Based on Janus NbSeTe Monolayer

    Ingår i Nanomaterials, 2020.

    Open access
  • Shiranzaei, Mahroo; Fransson, Jonas; Black-Schaffer, Annica M.; Parhizgar, Fariborz

    Highly tunable magnetic coupling in ultrathin topological insulator films due to impurity resonances

    Ingår i Physical Review B, 2020.

    Open access
  • Lacnjevac, Uros; Vasilic, Rastko; Dobrota, Ana; Durdic, Sladana et al.

    High-performance hydrogen evolution electrocatalysis using proton-intercalated TiO2 nanotube arrays as interactive supports for Ir nanoparticles

    Ingår i Journal of Materials Chemistry A, s. 22773-22790, 2020.

  • Zhou, Di; Semenok, Dmitrii V.; Xie, Hui; Huang, Xiaoli et al.

    High-Pressure Synthesis of Magnetic Neodymium Polyhydrides

    Ingår i Journal of the American Chemical Society, s. 2803-2811, 2020.

  • Vishina, Alena; Vekilova, Olga Yu.; Bjorkman, Torbjorn; Bergman, Anders et al.

    High-throughput and data-mining approach to predict new rare-earth free permanent magnets

    Ingår i Physical Review B, 2020.

    Open access
  • Koerfer, Ebba

    How do iodized nucleotides fragment due to photoactivation?

    2020.

    Open access
  • Gutic, Sanjin J.; Dobrota, Ana S.; Fako, Edvin; Skorodumova, Natalia V. et al.

    Hydrogen Evolution Reaction-From Single Crystal to Single Atom Catalysts

    Ingår i Catalysts, 2020.

    Open access
  • Khossossi, Nabil; Benhouria, Younes; Naqvi, S. Rabab; Panda, Pritam Kumar et al.

    Hydrogen storage characteristics of Li and Na decorated 2D boron phosphide

    Ingår i Sustainable Energy & Fuels, s. 4538-4546, 2020.

  • Mashkoori, Mahdi; Pradhan, Saurabh; Björnson, Kristofer; Fransson, Jonas et al.

    Identification of topological superconductivity in magnetic impurity systems using bulk spin polarization

    Ingår i Physical Review B, 2020.

    Open access
  • Singh, Deobrat; Panda, Pritam Kumar; Khossossi, Nabil; Mishra, Yogendra Kumar et al.

    Impact of edge structures on interfacial interactions and efficient visible-light photocatalytic activity of metal-semiconductor hybrid 2D materials

    Ingår i Catalysis Science & Technology, s. 3279-3289, 2020.

    Open access
  • Panigrahi, Puspamitra; Alhameedi, Khidhir; Karton, Amir; Ahuja, Rajeev et al.

    Improved Adsorption and Migration of Divalent Ions Over C4N Nanosheets: Potential Anode for Divalent Batteries

    Ingår i SURFACES AND INTERFACES, 2020.

  • Aperis, Alex; Morooka, Eiakihonroeda; Oppeneer, Peter M.

    Influence of electron-phonon coupling strength on signatures of even and odd-frequency superconductivity

    Ingår i Annals of Physics, 2020.

  • Anikina, E. V.; Banerjee, A.; Beskachko, V. P.; Ahuja, Rajeev

    Influence of Kubas-type interaction of B-Ni codoped graphdiyne with hydrogen molecules on desorption temperature and storage efficiency

    Ingår i Materials Today Energy, 2020.

    Open access
  • Srimathi, K.; Hussain, Tanveer; Panigrahi, Puspamitra; Subramaniam, N. Ganapathi et al.

    Influence of Sodium Iodide doped polypyrrole on green synthesized aluminum doped ZnO for the enhanced charge separation at the interface

    Ingår i Optical materials (Amsterdam), 2020.

  • Johansson, Fredrik O. L.; Chen, Xin; Eriksson, Olle; Sanyal, Biplab et al.

    Interlayer Charge Transfer in Tin Disulphide: Orbital Anisotropy and Temporal Aspects

    Ingår i Physical Review B, 2020.

    Open access
  • Majumdar, Arnab; VanGennep, Derrick; Brisbois, Jeremy; Chareev, Dmitriy et al.

    Interplay of charge density wave and multiband superconductivity in layered quasi-two-dimensional materials: The case of 2H-NbS2 and 2H-NbSe2

    Ingår i Physical Review Materials, 2020.

  • Deshpande, Swapnil S.; Deshpande, Mrinalini D.; Hussain, Tanveer; Ahuja, Rajeev

    Investigating CO2 storage properties of C2N monolayer functionalized with small metal clusters

    Ingår i Journal of CO2 Utilization, s. 1-13, 2020.

  • Yang, Xiaoyong; Yu, Yang; Liu, Yang; Wang, Ziwei et al.

    Investigating the solution and diffusion properties of hydrogen in alpha-Uranium by first-principles calculations

    Ingår i Progress in nuclear energy (New series), 2020.

  • Aydin, Alhun; Sisman, Altug; Kosloff, Ronnie

    Landauer’s Principle in a Quantum Szilard Engine without Maxwell’s Demon

    Ingår i Entropy, 2020.

    Open access
  • Husain, Sajid; Chen, Xin; Gupta, Rahul; Behera, Nilamani et al.

    Large Damping-Like Spin–Orbit Torque in a 2D Conductive 1T-TaS2 Monolayer

    Ingår i Nano letters (Print), s. 6372-6380, 2020.

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

    Large Josephson current in Weyl nodal loop semimetals due to odd-frequency superconductivity

    Ingår i NPJ QUANTUM MATERIALS, 2020.

    Open access
  • Arslanov, T. R.; Zalibekov, U. Z.; Kilanski, L.; Fedorchenko, I. , V et al.

    Large pressure-induced magnetoresistance in a hybrid ferromagnet-semiconductor system: Effect of matrix modification on the spin-dependent scattering

    Ingår i Journal of Applied Physics, 2020.

  • Appelt, W. H.; Östlin, A.; Di Marco, Igor; Leonov, I et al.

    Lattice dynamics of palladium in the presence of electronic correlations

    Ingår i Physical Review B, 2020.

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

    Li-decorated carbyne for hydrogen storage: charge induced polarization and van't Hoff hydrogen desorption temperature

    Ingår i Sustainable Energy & Fuels, s. 691-699, 2020.

  • George, Sebastian; Kádas, Krisztina; Jönsson, Petra; Muscas, Giuseppe et al.

    Local structure in amorphous SmxCo1-x: a combined experimental and theoretical study

    Ingår i Journal of Materials Science, s. 12488-12498, 2020.

    Open access
  • Pervishko, Anastasiia A.; Yudin, Dmitry; Gudelli, Vijay Kumar; Delin, Anna et al.

    Localized surface electromagnetic waves in CrI3-based magnetophotonic structures

    Ingår i Optics Express, s. 29155-29165, 2020.

  • Herper, Heike C.; Vekilova, Olga Yu; Simak, Sergei I.; Di Marco, Igor et al.

    Localized versus itinerant character of 4f-states in cerium oxides

    Ingår i Journal of Physics, 2020.

  • Mondal, Amit Kumar; Brown, Noam; Mishra, Suryakant; Makam, Pandeeswar et al.

    Long-Range Spin-Selective Transport in Chiral Metal-Organic Crystals with Temperature-Activated Magnetization

    Ingår i ACS Nano, s. 16624-16633, 2020.

    Open access
  • Landbris, Maja

    Luftledningskonstruktion: Vad begränsar en luftledningsstolpe?

    2020.

    Open access
  • Weyrauch, Michael; Rakov, Mykhailo V.

    Luttinger liquid properties from tensor network data

    Ingår i Physical Review B, 2020.

  • Ciuciulkaite, Agne; Mishra, Kshiti; Moro, Marcos V.; Chioar, Ioan-Augustin et al.

    Magnetic and all-optical switching properties of amorphous TbxCo100-x alloys

    Ingår i Physical Review Materials, 2020.

    Open access
  • Iacovita, C.; Hurst, Jerome; Manfredi, G.; Hervieux, P. A. et al.

    Magnetic force fields of isolated small nanoparticle clusters

    Ingår i Nanoscale, s. 1842-1851, 2020.

  • Keshavarz, Samara; Di Marco, Igor; Thonig, Danny; Chioncel, L. et al.

    Magnetic two-dimensional electron liquid at the surface of Heusler semiconductors

    Ingår i Physical Review Materials, 2020.

    Open access
  • Ehrler, Jonathan; Sanyal, Biplab; Grenzer, Joerg; Zhou, Shengqiang et al.

    Magneto-structural correlations in a systematically disordered B2 lattice

    Ingår i New Journal of Physics, 2020.

    Open access
  • Baldo Mesa Casa, Lucas

    Majorana bound states in Rashba nanowire junctions

    2020.

    Open access
  • Chen, Xin; Liu, Yuhang; Sanyal, Biplab

    Manipulation of Electronic and Magnetic Properties of 3d Transition Metal (Cr, Mn, Fe) Hexamers on Graphene with Vacancy Defects: Insights from First-Principles Theory

    Ingår i The Journal of Physical Chemistry C, s. 4270-4278, 2020.

  • Liu, Zeliang; Ahuja, Rajeev; Li, Huijian; Luo, Wei

    Mechanical and electronic properties of van der Waals layered hcp PdH2

    Ingår i Scientific Reports, 2020.

    Open access
  • Mishra, Pushkar; Singh, Deobrat; Sonvane, Yogesh; Ahuja, Rajeev

    Metal-functionalized 2D boron sulfide monolayer material enhancing hydrogen storage capacities

    Ingår i Journal of Applied Physics, 2020.

    Open access
  • Li, Xiaoqing; Wei, Daixiu; Vitos, Levente; Lizarraga, Raquel

    Micro-mechanical properties of new alternative binders for cemented carbides: CoCrFeNiWx high-entropy alloys

    Ingår i Journal of Alloys and Compounds, 2020.

  • Jon-And, Anna; Michaud, Jérôme

    Minimal Prerequisits for Processing Language Structure: A Model Based on Chunking and Sequence Memory

    Ingår i The Evolution of Language, 2020.

    Open access
  • Lima de Jesus Silva, Jose Luis

    Modelling and Simulation of Electro-catalysts for Green Energy: From Solvated Complexes to Solid-Liquid Interfaces

    Open access
  • Sheel, Rishav; Kumari, Puja; Panda, Pritam Kumar; Ansari, Md Danish Jawed et al.

    Molecular intrinsic proximal interaction infer oxidative stress and apoptosis modulated in vivo biocompatibility of P.niruri contrived antibacterial iron oxide nanoparticles with zebrafish

    Ingår i Environmental Pollution, 2020.

  • Gahlot, Sweta; Jeanneau, Erwann; Singh, Deobrat; Panda, Pritam Kumar et al.

    Molecules versus Nanoparticles: Identifying a Reactive Molecular Intermediate in the Synthesis of Ternary Coinage Metal Chalcogenides

    Ingår i Inorganic Chemistry, s. 7727-7738, 2020.

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

    Monolayer 1T-LaN2: Dirac spin-gapless semiconductor of p-state and Chern insulator with a high Chern number

    Ingår i Applied Physics Letters, 2020.

  • Eriksson, Anders; Sjöqvist, Erik

    Monopole Field Textures in Interacting Spin Systems

    Ingår i Physical Review A. Atomic, Molecular, and Optical Physics, 2020.

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

    Multichannel superconductivity of monolayer FeSe on SrTiO3: Interplay of spin fluctuations and electron-phonon interaction

    Ingår i Physical Review B, 2020.

    Open access
  • Méndez, Édgar; Poluektov, Mikhail; Kreiss, Gunilla; Eriksson, Olle et al.

    Multiscale approach for magnetization dynamics: unraveling exotic magnetic states of matter

    Ingår i Physical Review Research, 2020.

    Open access
  • Bagrov, Andrey A.; Iakovlev, Ilia A.; Iliasov, Askar A.; Katsnelson, Mikhail, I et al.

    Multiscale structural complexity of natural patterns

    Ingår i Proceedings of the National Academy of Sciences of the United States of America, s. 30241-30251, 2020.

  • Maccaferri, Nicolo; Zubritskaya, Irina; Razdolski, Ilya; Chioar, Ioan-Augustin et al.

    Nanoscale magnetophotonics

    Ingår i Journal of Applied Physics, 2020.

  • Yuksel, Recep; Buyukcakir, Onur; Panda, Pritam Kumar; Lee, Sun Hwa et al.

    Necklace-like Nitrogen-Doped Tubular Carbon 3D Frameworks for Electrochemical Energy Storage

    Ingår i Advanced Functional Materials, 2020.

  • Bouhon, Adrien; Wu, QuanSheng; Slager, Robert-Jan; Weng, Hongming et al.

    Non-Abelian reciprocal braiding of Weyl points and its manifestation in ZrTe

    Ingår i Nature Physics, s. 1137-, 2020.

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

    Nonlinear optical characteristics of an exciton in a GaSb-capped InSb heterodot: role of size control

    Ingår i The European Physical Journal Plus, 2020.

  • Pogoryelov, Yevgen; Pereiro, Manuel; Jana, Somnath; Kumar, Ankit et al.

    Nonreciprocal spin pumping damping in asymmetric magnetic trilayers

    Ingår i Physical Review B, 2020.

    Open access
  • Cayao, Jorge; Triola, Christopher; Black-Schaffer, Annica M.

    Odd-frequency superconducting pairing in one-dimensional systems

    Ingår i The European Physical Journal Special Topics, s. 545-575, 2020.

    Open access
  • Schmidt, Johann; Parhizgar, Fariborz; Black-Schaffer, Annica M.

    Odd-frequency superconductivity and Meissner effect in the doped topological insulator Bi2Se3

    Ingår i Physical Review B, 2020.

    Open access
  • Singh, Deobrat; Shukla, Vivekanand; Ahuja, Rajeev

    Optical excitations and thermoelectric properties of two-dimensional holey graphene

    Ingår i Physical Review B, 2020.

    Open access
  • Das, Arkaprava; Singh, Deobrat; Saini, C. P.; Ahuja, Rajeev et al.

    Orbital hybridization-induced band offset phenomena in NixCd1-xO thin films

    Ingår i Nanoscale, s. 669-686, 2020.

  • Batalovic, K.; Radakovic, J.; Bundaleski, N.; Rakocevic, Z. et al.

    Origin of photocatalytic activity enhancement in Pd/Pt-deposited anatase N-TiO2 – experimental insights and DFT study of the (001) surface

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 18536-18547, 2020.

  • Vrubel, Ivan I.; Pervishko, Anastasiia A.; Yudin, Dmitry; Sanyal, Biplab et al.

    Oxygen vacancy in ZnO-w phase: pseudohybrid Hubbard density functional study

    Ingår i Journal of Physics, 2020.

  • Chen, Xin; Bouhon, Adrien; Li, Linyang; Peeters, François M. et al.

    PAI-graphene: A new topological semimetallic two-dimensional carbon allotrope with highly tunable anisotropic Dirac cones

    Ingår i Carbon, s. 477-486, 2020.

    Open access
  • Sjöqvist, Erik

    Parallelity of mixed quantum ensembles

    2020.

    Open access
  • Ivanov, Sergey; Joshi, Deep C.; Bush, A. A.; Wang, Duo et al.

    Partial cation ordering, relaxor ferroelectricity, and ferrimagnetism in Pb(Fe1-xYbx)(2/3)W1/3O3 solid solutions

    Ingår i Journal of Applied Physics, 2020.

    Open access
  • Sakr, Mahmoud A.; Elgammal, Karim; Delin, Anna; Serry, Mohamed

    Performance-Enhanced Non-Enzymatic Glucose Sensor Based on Graphene-Heterostructure

    Ingår i Sensors, 2020.

    Open access
  • Dutta, Biswanath; Koermann, Fritz; Ghosh, Subhradip; Sanyal, Biplab et al.

    Phonons in magnetically disordered materials: Magnetic versus phononic time scales

    Ingår i Physical Review B, 2020.

    Open access
  • Treuil-Dussouet, Félix

    Photoconductivity in rare earth metal-oxy-hydrides

    2020.

    Open access
  • Zhang, Hongni; Du, Wenzheng; Zhao, Tong; Ahuja, Rajeev et al.

    Poisonous Vapor Adsorption on Pure and Modified Aluminum Nitride Nanosheet for Environmental Safety: A DFT Exploration

    Ingår i Sustainability, 2020.

    Open access
  • Choi, Young Won; Dong, Zhihua; Li, Wei; Schönecker, Stephan et al.

    Predicting the stacking fault energy of austenitic Fe-Mn-Al (Si) alloys

    Ingår i Materials & design, 2020.

    Open access
  • Tian, Li-Yun; Eriksson, Olle; Vitos, Levente

    Pressure effect on the order-disorder transformation in L1(0) FeNi

    Ingår i Scientific Reports, 2020.

    Open access
  • Cayao, Jorge; Benito, Monica; Burkard, Guido

    Programable two-qubit gates in capacitively coupled flopping-mode spin qubits

    Ingår i Physical Review B, 2020.

    Open access
  • Panda, Pritam Kumar; Grigoriev, Anton; Mishra, Yogendra Kumar; Ahuja, Rajeev

    Progress in supercapacitors: roles of two dimensional nanotubular materials

    Ingår i NANOSCALE ADVANCES, s. 70-108, 2020.

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

    Prominent Cooper pairing away from the Fermi level and its spectroscopic signature in twisted bilayer graphene

    Ingår i Physical Review Research, 2020.

    Open access
  • Singh, Deobrat; Sajjad, Muhammad; Larsson, J. Andreas; Ahuja, Rajeev

    Promising high-temperature thermoelectric response of bismuth oxybromide

    Ingår i RESULTS IN PHYSICS, 2020.

    Open access
  • Lian, Ruqian; Feng, Jianrui; Chen, Xin; Wang, Dashuai et al.

    Q-Carbon: A New Carbon Allotrope with a Low Degree of s-p Orbital Hybridization and Its Nucleation Lithiation Process in Lithium-Ion Batteries

    Ingår i ACS Applied Materials and Interfaces, s. 619-626, 2020.

  • Sandberg, Anna

    Quantum statistics and the magnetocaloric effect

    2020.

    Open access
  • Khossossi, Nabil; Panda, Pritam Kumar; Singh, Deobrat; Shukla, Vivekanand et al.

    Rational Design of 2D h-BAs Monolayer as Advanced Sulfur Host for High Energy Density Li-S Batteries

    Ingår i ACS Applied Energy Materials, s. 7306-7317, 2020.

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

    Reaction Coordinate Mapping of Hydrogen Evolution Mechanism on Mg3N2Monolayer

    s. 22848-22854 2020.

  • Yang, Xiaoyong; Singh, Deobrat; Ahuja, Rajeev

    Recent Advancements and Future Prospects in Ultrathin 2D Semiconductor-Based Photocatalysts for Water Splitting

    Ingår i Catalysts, 2020.

    Open access
  • Khossossi, Nabil; Singh, Deobrat; Ainane, Abdelmajid; Ahuja, Rajeev

    Recent progress of defect chemistry on 2D materials for advanced battery anodes

    Ingår i Chemistry - An Asian Journal, s. 3390-3404, 2020.

    Open access
  • Shukla, Vivekanand; Grigoriev, Anton; Ahuja, Rajeev

    Rectifying behavior in twisted bilayer black phosphorus nanojunctions mediated through intrinsic anisotropy

    Ingår i NANOSCALE ADVANCES, s. 1493-1501, 2020.

    Open access
  • Kvashnin, Yaroslav; Bergman, Anders; Lichtenstein, A. , I; Katsnelson, M. , I

    Relativistic exchange interactions in CrX3 (X = Cl, Br, I) monolayers

    Ingår i Physical Review B, 2020.

    Open access
  • Panigrahi, Puspamitra; Kumar, Ashok; Karton, Amir; Ahuja, Rajeev et al.

    Remarkable improvement in hydrogen storage capacities of two-dimensional carbon nitride (g-C3N4) nanosheets under selected transition metal doping

    Ingår i International journal of hydrogen energy, s. 3035-3045, 2020.

  • Azish, Parham

    Residual Bell Nonlocality

    2020.

    Open access
  • Ebadi, Mahsa; Eriksson, Therese; Mandal, Prithwiraj; Costa, Luciano T. et al.

    Restricted Ion Transport by Plasticizing Side Chains in Polycarbonate-Based Solid Electrolytes

    Ingår i Macromolecules, s. 764-774, 2020.

    Open access
  • Luo, Zhihui; Liu, Lei; Yang, Xiaoyong; Luo, Xuan et al.

    Revealing the Charge Storage Mechanism of Nickel Oxide Electrochromic Supercapacitors

    Ingår i ACS Applied Materials and Interfaces, s. 39098-39107, 2020.

  • Mishra, Pushkar; Singh, Deobrat; Sonvane, Yogesh; Ahuja, Rajeev

    Revealing the Veil of the Stability of Monolayer Boron Sulfide Upon Air and Humidity Exposure

    Ingår i DAE Solid State Physics Symposium 2019, 2020.

  • Gahlot, Sweta; Dappozze, Frederic; Singh, Deobrat; Ahuja, Rajeev et al.

    Room-temperature conversion of Cu2-xSe to CuAgSe nanoparticles to enhance the photocatalytic performance of their composites with TiO2

    Ingår i Dalton Transactions, s. 3580-3591, 2020.

  • Tsuppayakorn-aek, Prutthipong; Yang, Xiaoyong; Pluengphon, Prayoonsak; Luo, Wei et al.

    Route to high-T-c superconductivity of BC7 via strong bonding of boron-carbon compound at high pressure

    Ingår i Scientific Reports, 2020.

    Open access
  • Patel, Paritosh; Panda, Pritam Kumar; Kumari, Puja; Singh, Puneet Kumar et al.

    Selective in vivo molecular and cellular biocompatibility of black peppercorns by piperine-protein intrinsic atomic interaction with elicited oxidative stress and apoptosis in zebrafish eleuthero embryos

    Ingår i Ecotoxicology and Environmental Safety, 2020.

  • Kamber, Umut; Bergman, Anders; Eich, Andreas; Iuşan, Diana et al.

    Self-induced spin glass state in elemental and crystalline neodymium

    Ingår i Science, 2020.

  • Hussain, Tanveer; Sajjad, Muhammad; Singh, Deobrat; Bae, Hyeonhu et al.

    Sensing of volatile organic compounds on two-dimensional nitrogenated holey graphene, graphdiyne, and their heterostructure

    Ingår i Carbon, s. 213-223, 2020.

  • Yang, Xiaoyong; Singh, Deobrat; Xu, Zhitong; Ahuja, Rajeev

    Sensing the polar molecules MH3 (M = N, P, or As) with a Janus NbTeSe monolayer

    Ingår i New Journal of Chemistry, s. 7932-7940, 2020.

    Open access
  • Sanchez, Elena H.; Vasilakaki, Marianna; Lee, Su Seong; Normile, Peter S. et al.

    Simultaneous Individual and Dipolar Collective Properties in Binary Assemblies of Magnetic Nanoparticles

    Ingår i Chemistry of Materials, s. 969-981, 2020.

  • Nahas, Suhas; Sanyal, Biplab; Black-Schaffer, Annica M.

    Spontaneous ferromagnetism and finite surface energy gap in the topological insulator Bi2Se3 from surface Bi-se antisite defects

    Ingår i Physical Review B, 2020.

    Open access
  • Zhao, Xiaofeng; Yang, Xiaoyong; Singh, Deobrat; Panda, Pritam Kumar et al.

    Strain-Engineered Metal-Free h-B2O Monolayer as a Mechanocatalyst for Photocatalysis and Improved Hydrogen Evolution Reaction

    Ingår i The Journal of Physical Chemistry C, s. 7884-7892, 2020.

    Open access
  • Dong, Zhihua; Li, Wei; Chai, Guocai; Vitos, Levente

    Strong temperature - Dependence of Ni -alloying influence on the stacking fault energy in austenitic stainless steel

    Ingår i Scripta Materialia, s. 438-441, 2020.

  • Bhattacharyya, Sauri; Bakshi, Sankha Subhra; Pradhan, Saurabh; Majumdar, Pinaki

    Strongly anharmonic collective modes in a coupled electron-phonon-spin problem

    Ingår i Physical Review B, 2020.

  • Benguerine, O.; Nabi, Z.; Benichou, B.; Bouabdallah, B. et al.

    Structural, elastic, electronic, and magnetic properties of Ni2MnSb, Ni2MnSn, and Ni2MnSb0.5Sn0.5 magnetic shape memory alloys

    Ingår i Revista mexicana de física, s. 121-126, 2020.

  • Yang, Xiaoyong; Banerjee, Amitava; Ahuja, Rajeev

    Structural Insight of the Frailty of 2D Janus NbSeTe as an Active Photocatalyst

    Ingår i ChemCatChem, s. 6013-6023, 2020.

    Open access
  • Kotmool, Komsilp; Tsuppayakorn-aek, Prutthipong; Kaewmaraya, Thanayut; Pinsook, Udomsilp et al.

    Structural Phase Transitions, Electronic Properties, and Hardness of RuB4 under High Pressure in Comparison with FeB4 and OsB4

    Ingår i The Journal of Physical Chemistry C, s. 14804-14810, 2020.

  • Alekseev, A. Y.; Migas, D. B.; Filonov, A. B.; Borisenko, V. E. et al.

    Structural stability and electronic properties of 2D alkaline-earth metal silicides, germanides, and stannides

    Ingår i Japanese Journal of Applied Physics, 2020.

  • Allal, Adel; Bouchenafa, Mohamed; Halit, Mohamed; Saib, Salima et al.

    Structural stability, mechanical, electronic and optical behaviour of RbXS2 (X = Y and La) under high pressure: A first-principle study

    Ingår i Journal of Alloys and Compounds, 2020.

  • Panda, Pritam Kumar; Arul, Murugan Natarajan; Patel, Paritosh; Verma, Suresh K. et al.

    Structure-based drug designing and immunoinformatics approach for SARS-CoV-2

    Ingår i Science Advances, 2020.

    Open access
  • Molnar, David; Lu, Song; Hertzman, Staffan; Engberg, Goran et al.

    Study of the alternative mechanism behind the constant strain hardening rate in high-nitrogen steels

    Ingår i Materials Characterization, 2020.

  • Tsuppayakorn-aek, Prutthipong; Pinsook, Udomsilp; Luo, Wei; Ahuja, Rajeev et al.

    Superconductivity of superhydride CeH(10)under high pressure

    Ingår i MATERIALS RESEARCH EXPRESS, 2020.

    Open access
  • Naqvi, Syeda R.; Hussain, Tanveer; R. Gollu, Sankara; Luo, Wei et al.

    Superior sensitivity of metal functionalized boron carbide (BC3) monolayer towards carbonaceous pollutants

    Ingår i Applied Surface Science, 2020.

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

    Suppression of odd-frequency pairing by phase disorder in a nanowire coupled to Majorana zero modes

    Ingår i Physical Review B, 2020.

    Open access
  • Arruda, Lucas M.; Ali, Md Ehesan; Bernien, Matthias; Hatter, Nino et al.

    Surface-orientation- and ligand-dependent quenching of the spin magnetic moment of Co porphyrins adsorbed on Cu substrates

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 12688-12696, 2020.

  • Esteban-Puyuelo, Raquel; Sonkar, Rajat Kumar; Pujari, Bhalchandra; Grånäs, Oscar et al.

    Tailoring the opto-electronic response of graphene nanoflakes by size and shape optimization

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 8212-8218, 2020.

  • Das, Arkaprava; Singh, Deobrat; Kaur, Anumeet; Saini, C. P. et al.

    Temperature-Dependent Cationic Doping-Driven Phonon Dynamics Investigation in CdO Thin Films Using Raman Spectroscopy

    Ingår i The Journal of Physical Chemistry C, s. 21818-21828, 2020.

  • Ahmadivand, Arash; Gerislioglu, Burak; Ahuja, Rajeev; Mishra, Yogendra Kumar

    Terahertz plasmonics: The rise of toroidal metadevices towards immunobiosensings

    Ingår i Materials Today, s. 108-130, 2020.

  • Kibbou, M.; Benhouria, Y.; Boujnah, M.; Essaoudi, I et al.

    The electronic, magnetic and electrical properties of Mn2FeReO6: Ab-initio calculations and Monte-Carlo simulation

    Ingår i Journal of Magnetism and Magnetic Materials, 2020.

  • Gerislioglu, B.; Bakan, G.; Ahuja, Rajeev; Adam, J. et al.

    The role of Ge2Sb2Te5 in enhancing the performance of functional plasmonic devices

    Ingår i MATERIALS TODAY PHYSICS, 2020.

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

    The Role of Odd-Frequency Pairing in Multiband Superconductors

    Ingår i Annalen der Physik, 2020.

  • Frietsch, B.; Donges, A.; Carley, R.; Teichmann, M. et al.

    The role of ultrafast magnon generation in the magnetization dynamics of rare-earth metals

    Ingår i Science Advances, 2020.

    Open access
  • Martins, Ernane de Freitas; Amorim, Rodrigo G.; Feliciano, Gustavo Troiano; Scheicher, Ralph H. et al.

    The role of water on the electronic transport in graphene nanogap devices designed for DNA sequencing

    Ingår i Carbon, s. 314-319, 2020.

  • Novcic, Katarina A.; Dobrota, Ana S.; Petkovic, Milena; Johansson, Börje et al.

    Theoretical analysis of doped graphene as cathode catalyst in Li-O2 and Na-O2 batteries: the impact of the computational scheme

    Ingår i Electrochimica Acta, 2020.

  • Chen, Xin

    Theoretical Investigations of Two-Dimensional Materials: Studies on Electronic, Magnetic, Mechanical, and Thermal Properties

    Open access
  • Ritzmann, Ulrike; Oppeneer, Peter M.; Maldonado, Pablo

    Theory of out-of-equilibrium electron and phonon dynamics in metals after femtosecond laser excitation

    Ingår i Physical Review B, 2020.

    Open access
  • Huang, Shuo; Dong, Zhihua; Mu, Wangzhong; Ström, Valter et al.

    Thermo-elastic properties of bcc Mn-rich high-entropy alloy

    Ingår i Applied Physics Letters, 2020.

  • Dutta, Paramita; Alves, Kaue R.; Black-Schaffer, Annica M.

    Thermoelectricity carried by proximity-induced odd-frequency pairing in ferromagnet/superconductor junctions

    Ingår i Physical Review B, 2020.

    Open access
  • Ronchi, Rodrigo M.; Marchiori, Cleber; Araujo, Moyses; Arantes, Jeverson T. et al.

    Thermoplastic polyurethane - Ti3C2(T-x) MXene nanocomposite: The influence of functional groups upon the matrix-reinforcement interaction

    Ingår i Applied Surface Science, 2020.

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

    Thermoshape effect for energy harvesting with nanostructures

    Ingår i Journal of Physics D, 2020.

  • Unal, F. Nur; Bouhon, Adrien; Slager, Robert-Jan

    Topological Euler Class as a Dynamical Observable in Optical Lattices

    Ingår i Physical Review Letters, 2020.

  • Schmidt, Johann

    Topological superconductivity in multiorbital materials

    Open access
  • Ahmadivand, Arash; Gerislioglu, Burak; Ahuja, Rajeev; Mishra, Yogendra Kumar

    Toroidal Metaphotonics and Metadevices

    Ingår i Laser & Photonics reviews, 2020.

  • Danielsson, Emma

    Towards a better understanding of protein structures: assessing the sulfur bridge in Cystine through photofragmentation

    2020.

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

    Tracking the ultrafast nonequilibrium energy flow between electronic and lattice degrees of freedom in crystalline nickel

    Ingår i Physical Review B, 2020.

    Open access
  • Ji, Shaozheng; Grånäs, Oscar; Rossnagel, Kai; Weissenrieder, Jonas

    Transient three-dimensional structural dynamics in 1T -TaSe2

    Ingår i Physical Review B, 2020.

    Open access
  • Pereira de Carvalho, Rodrigo; Marchiori, Cleber; Brandell, Daniel; Araujo, Carlos Moyses

    Tuning the Electrochemical Properties of Organic Battery Cathode Materials: Insights from Evolutionary Algorithm DFT Calculations

    Ingår i ChemSusChem, s. 2402-2409, 2020.

    Open access
  • Mishra, Pushkar; Singh, Deobrat; Sonvane, Yogesh; Ahuja, Rajeev

    Two-dimensional boron monochalcogenide monolayer for thermoelectric material

    Ingår i Sustainable Energy & Fuels, s. 2363-2369, 2020.

    Open access
  • Chen, Xin; Wang, Duo; Liu, Xiaobiao; Li, Linyang et al.

    Two-Dimensional Square-A(2)B (A = Cu, Ag, Au, and B = S, Se): Auxetic Semiconductors with High Carrier Mobilities and Unusually Low Lattice Thermal Conductivities

    Ingår i Journal of Physical Chemistry Letters, s. 2925-2933, 2020.

  • Zhang, Wentao; Maldonado, Pablo; Jin, Zuanming; Seifert, Tom S. et al.

    Ultrafast terahertz magnetometry

    Ingår i Nature Communications, 2020.

    Open access
  • Majumdar, Arnab; Chowdhury, Suman; Ahuja, Rajeev

    Ultralow Thermal Conductivity and High Thermoelectric Figure of Merit in Two-Dimensional Thallium Selenide

    Ingår i ACS Applied Energy Materials, s. 9315-9325, 2020.

  • Bhuyan, Prabal Dev; Sonvane, Yogesh; Gajjar, P. N.; Ahuja, Rajeev et al.

    Ultrathin nanowire PdX2 (X = P, As): stability, electronic transport and thermoelectric properties

    Ingår i New Journal of Chemistry, s. 15617-15624, 2020.

  • Marchiori, Cleber; Pereira de Carvalho, Rodrigo; Ebadi, Mahsa; Brandell, Daniel et al.

    Understanding the Electrochemical Stability Window of Polymer Electrolytes in Solid-State Batteries from Atomic-Scale Modeling: The Role of Li-Ion Salts

    Ingår i Chemistry of Materials, s. 7237-7246, 2020.

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

    Universal scaling of weak localization in graphene due to bias-induced dispersion decoherence

    Ingår i Scientific Reports, 2020.

    Open access
  • Chen, Si; Chen, Xin; Duijnstee, Elisabeth A.; Sanyal, Biplab et al.

    Unveiling Temperature-Induced Structural Domains and Movement of Oxygen Vacancies in SrTiO3 with Graphene

    Ingår i ACS Applied Materials and Interfaces, s. 52915-52921, 2020.

    Open access
  • Yang, Xiaoyong; Wang, Ziwei; Xu, Zhitong; Li, Shuyang et al.

    Unveiling the energetic and structural properties of Pu doped zircon through electrochemical equilibrium diagram from DFT plus U calculations

    Ingår i Journal of Nuclear Materials, 2020.

  • Rossi, Enrico; Triola, Christopher

    Van Der Waals Heterostructures with Spin-Orbit Coupling

    Ingår i Annalen der Physik, 2020.

  • Singh, Deobrat; Panda, Pritam Kumar; Mishra, Yogendra Kumar; Ahuja, Rajeev

    Van der Waals induced molecular recognition of canonical DNA nucleobases on a 2D GaS monolayer

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 6706-6715, 2020.

    Open access
  • Fransson, Jonas

    Vibrational origin of exchange splitting and chiral-induced spin selectivity

    Ingår i Physical Review B, 2020.

    Open access
  • Pradhan, Saurabh; Fransson, Jonas

    Yu-Shiba-Rusinov states of a single magnetic molecule in an s-wave superconductor

    Ingår i Physical Review B, 2020.

    Open access
  • Sharma, Pratigya; Sundaram, Manickam Minakshi; Watcharatharapong, Teeraphat; Laird, Damian et al.

    Zn Metal Atom Doping on the Surface Plane of One-Dimesional NiMoO4 Nanorods with Improved Redox Chemistry

    Ingår i ACS Applied Materials and Interfaces, s. 44815-44829, 2020.

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

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

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

  • Wani, Ishtiaq 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

    Ingår i Nanoscale, s. 6571-6575, 2019.

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

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

    Ingår i Materials, 2019.

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

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

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 18328-18337, 2019.

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

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

    Ingår i Journal of Materials Chemistry C, s. 5477-5487, 2019.

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

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

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

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

    An emerging Janus MoSeTe material for potential applications in optoelectronic devices

    Ingår i Journal of Materials Chemistry C, s. 12312-12320, 2019.

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

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

    Ingår i Physical Review B, 2019.

  • Umrao, S.; Maurya, A. K.; Shukla, Vivekanand; Grigoriev, Anton et al.

    Anticarcinogenic activity of blue fluorescent hexagonal boron nitride quantum dots: as an effective enhancer for DNA cleavage activity of anticancer drug doxorubicin

    Ingår i MATERIALS TODAY BIO, 2019.

    Open access
  • Moberg, Simon

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

    2019.

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

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

    Ingår i Journal of Materials Chemistry A, s. 8394-8404, 2019.

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

    Atomic photoionization cross sections beyond the electric dipole approximation

    Ingår i Journal of Chemical Physics, 2019.

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

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

    Ingår i Chemistry of Materials, s. 2476-2485, 2019.

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

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

    Ingår i ACS Catalysis, s. 3467-3481, 2019.

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

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

    Ingår i Crystals, 2019.

    Open access
  • Bylin, Johan

    Best practice of extracting magnetocaloric properties in magnetic simulations

    2019.

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

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

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

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

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

    Ingår i European Physical Journal B, 2019.

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

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

    Ingår i Inorganic Chemistry, s. 12040-12052, 2019.

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

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

    Ingår i Physical Review B, 2019.

  • Fransson, Jonas

    Chirality-Induced Spin Selectivity: The Role of Electron Correlations

    Ingår i Journal of Physical Chemistry Letters, s. 7126-7132, 2019.

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

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

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

  • Shukla, Vivekanand

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

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

    Controlled current confinement in interfaced 2D nanosensor for electrical identification of DNA

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 24884-24890, 2019.

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

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

    Ingår i Physical Review B, 2019.

  • 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

    Ingår i Solar Energy, s. 225-236, 2019.

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

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

    Ingår i Computational materials science, s. 188-202, 2019.

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

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

    Ingår i Journal of Physics, 2019.

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

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

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

  • Watcharatharapong, Teeraphat

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

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

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

    Ingår i ACS Applied Materials and Interfaces, s. 32856-32868, 2019.

  • 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

    Ingår i Journal of Physics, 2019.

  • Tian, L-Y; Levämäki, H.; Kuisma, M.; Kokko, K. et al.

    Density functional theory description of random Cu-Au alloys

    Ingår i Physical Review B, 2019.

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

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

    Ingår i Scientific Reports, 2019.

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

    Discrete and Weyl density of states for photonic dispersion relation

    Ingår i Physica Scripta, 2019.

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

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

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

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

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

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

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

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

    Ingår i Physical Review A: covering atomic, molecular, and optical physics and quantum information, 2019.

  • Hammar, Henning

    Dynamics of Magnetic Molecules under Electrical Control

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

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

    Ingår i Scientific Reports, 2019.

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

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

    Ingår i Materials Science & Engineering, s. 490-497, 2019.

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

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

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

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

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

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

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

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

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

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

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

    Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 17959-17970, 2019.

  • Nilsson, Carolina

    Elektrisk styrning av mekaniska vibrationer

    2019.

    Open access
  • Panigrahi, Puspamitra; Hussain, Tanveer; Karton, Amir; Ahuja, Rajeev

    Elemental Substitution of Two-Dimensional Transition Metal Dichalcogenides (MoSe2 and MoTe2): Implications for Enhanced Gas Sensing

    Ingår i ACS SENSORS, s. 2646-2653, 2019.

  • Singh, Deobrat; Chakraborty, Sudip; Ahuja, Rajeev

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

    Ingår i ACS Applied Energy Materials, s. 8441-8448, 2019.

  • 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

    Ingår i Physical Review B, 2019.

  • Singh, D.; Ahuja, Rajeev

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

    Ingår i ACS Applied Energy Materials, s. 6891-6903, 2019.

  • Ramberg, Nicklas; Sjöqvist, Erik

    Environment-assisted holonomic quantum maps

    Ingår i Physical Review Letters, 2019.

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

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

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

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

    Experimental study of the gamma-surface of austenitic stainless steels

    Ingår i Acta Materialia, s. 34-43, 2019.

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

    Femtosecond bond breaking and charge dynamics in ultracharged amino acids

    Ingår i Journal of Chemical Physics, 2019.

    Open access
  • Dong, Zhihua; Vitos, Levente

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

    Ingår i Scripta Materialia, s. 78-82, 2019.

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

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

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

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

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

    Ingår i Physical Review Materials, 2019.

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

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

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

  • Schindler, Frank; Brzezinska, Marta; Benalcazar, Wladimir A.; Iraola, Mikel et al.

    Fractional corner charges in spin-orbit coupled crystals

    Ingår i Physical Review Research, 2019.

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

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

    Ingår i ACS Applied Energy Materials, s. 5074-5082, 2019.

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

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

    Ingår i Physical Review B, 2019.

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

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

    Ingår i Physical Review B, 2019.

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

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

    Ingår i Journal of Physics, 2019.

    Open access
  • Witkowski, Nadine; Lüder, Johann; Bidermane, Ieva; Farronato, Mattia et al.

    Grafting, self-organization and reactivity of double-decker rare-earth phthalocyanine

    Ingår i Journal of Porphyrins and Phthalocyanines, s. 1523-1534, 2019.

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

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

    Ingår i Scientific Reports, 2019.

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

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

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

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

    High density of genuine growth twins in electrodeposited aluminum

    Ingår i Science Advances, 2019.

    Open access
  • 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

    Ingår i Nanoscale, s. 14802-14819, 2019.

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

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

    Ingår i The Journal of Physical Chemistry C, s. 14508-14516, 2019.

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

    Hydrated Electron Generation by Excitation of Copper Localized Surface Plasmon Resonance

    Ingår i Journal of Physical Chemistry Letters, s. 1743-1749, 2019.

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

    Hydrogen induced structure and property changes in Eu3Si4

    Ingår i Journal of Solid State Chemistry, s. 37-45, 2019.

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

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

    Ingår i Physical Review Letters, 2019.

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

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

    Ingår i Physical Review B, 2019.

  • de Castro Portugal, Pedro Vinicius

    Implementing a One Qubit Holonomic Quantum Gate in aBosonic Environment

    2019.

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

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

    Ingår i Physical Review B, 2019.

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

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

    Ingår i Physical Review Materials, 2019.

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

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

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

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

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

    Ingår i International journal of plasticity, s. 123-139, 2019.

  • Zeiger, Paul Michel

    Influence of non-dipole trnasitions on the extraction of EMCD

    2019.

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

    Initial Steps in PEO Decomposition on a Li Metal Electrode

    Ingår i The Journal of Physical Chemistry C, s. 22851-22857, 2019.

  • 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

    Ingår i The Journal of Physical Chemistry C, s. 19340-19346, 2019.

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

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

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

  • 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

    Ingår i Journal of Materials Chemistry A, s. 27441-27449, 2019.

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

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

    Ingår i MAGNETOCHEMISTRY, 2019.

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

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

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

  • 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

    Ingår i Journal of Medicinal Chemistry, s. 10423-10440, 2019.

  • Abdeldaim, Aly H.; Badrtdinov, Danis, I; Gibbs, Alexandra S.; Manuel, Pascal et al.

    Large easy-axis anisotropy in the one-dimensional magnet BaMo(PO4)(2)

    Ingår i Physical Review B, 2019.

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

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

    Ingår i ACS APPLIED NANO MATERIALS, s. 3021-3030, 2019.

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

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

    Ingår i Journal of Physical Chemistry A, s. 3214-3222, 2019.

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

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

    Ingår i Materials, 2019.

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

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

    Ingår i ACS Energy Letters, s. 1364-1369, 2019.

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

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

    Ingår i RESULTS IN PHYSICS, 2019.

    Open access
  • 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

    Ingår i Applied Physics Letters, 2019.

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

    Magnetic and mechanical effects of Mn substitutions in AlFe2B2

    Ingår i Journal of Magnetism and Magnetic Materials, s. 54-60, 2019.

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

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

    Ingår i Physical Review Materials, 2019.

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

    Magnetocaloric effect in Fe2P: Magnetic and phonon degrees of freedom

    Ingår i Physical Review B, 2019.

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

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

    Ingår i Physical Review Letters, 2019.

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

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

    Ingår i Journal of Physics, 2019.

  • Persson, Jacob

    Magnon-Phonon Coupling

    2019.

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

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

    Ingår i Physical Review B, 2019.

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

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

    Ingår i Physical Review B, 2019.

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

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

    Ingår i Journal of Materials Chemistry A, s. 17446-17455, 2019.

  • 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

    Ingår i Chemistry of Materials, s. 7238-7247, 2019.

  • Banerjee, Amitava

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

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

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

    Ingår i International journal of refractory metals & hard materials, 2019.

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

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

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

  • Maldonado, Pablo; Kvashnin, Yaroslav

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

    Ingår i Physical Review B, 2019.

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

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

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

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

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

    Ingår i The Journal of Physical Chemistry C, s. 14547-14555, 2019.

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

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

    Ingår i Journal of Materials Chemistry C, s. 12180-12193, 2019.

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

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

    Ingår i Journal of physics: Condensed matter, 2019.

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

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

    Ingår i Nano letters (Print), s. 4279-4286, 2019.

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

    Near-unity spin Hall ratio in NixCu1-x alloys

    Ingår i Physical Review B, 2019.

  • Gaucher, Yann

    Odd-Frequency Pairing

    2019.

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

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

    Ingår i Physical Review B, 2019.

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

    Odd-frequency superconducting pairing in Kitaev-based junctions

    Ingår i Physical Review B, 2019.

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

    Odd-frequency superconductivity induced by nonmagnetic impurities

    Ingår i Physical Review B, 2019.