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Temperature dependence of TiN elastic constants from ab initio molecular dynamics simulations
P Steneteg, O Hellman, OY Vekilova, N Shulumba, F Tasnádi, ...
Physical Review B 87 (9), 094114, 2013
972013
First-principles study of vacancy-hydrogen interaction in Pd
OY Vekilova, DI Bazhanov, SI Simak, IA Abrikosov
Physical Review B 80 (2), 024101, 2009
762009
Pressure-induced hydrogen bond symmetrization in iron oxyhydroxide
W Xu, E Greenberg, GK Rozenberg, MP Pasternak, E Bykova, ...
Physical Review Letters 111 (17), 175501, 2013
732013
Intrinsic magnetic properties of SmFe12− xVx alloys with reduced V-concentration
AM Schönhöbel, R Madugundo, OY Vekilova, O Eriksson, HC Herper, ...
Journal of Alloys and Compounds 786, 969-974, 2019
482019
High-throughput and data-mining approach to predict new rare-earth free permanent magnets
A Vishina, OY Vekilova, T Björkman, A Bergman, HC Herper, O Eriksson
Physical Review B 101 (9), 094407, 2020
422020
Database of novel magnetic materials for high-performance permanent magnet development
P Nieves, S Arapan, J Maudes-Raedo, R Marticorena-Sánchez, ...
Computational materials science 168, 188-202, 2019
422019
Hyperfine splitting and room-temperature ferromagnetism of Ni at multimegabar pressure
I Sergueev, L Dubrovinsky, M Ekholm, OY Vekilova, AI Chumakov, ...
Physical review letters 111 (15), 157601, 2013
322013
Computational design of rare-earth reduced permanent magnets
A Kovacs, J Fischbacher, M Gusenbauer, H Oezelt, HC Herper, ...
Engineering 6 (2), 148-153, 2020
282020
Effect of pressure on phase stability in Fe-Cr alloys
AV Ponomareva, AV Ruban, OY Vekilova, SI Simak, IA Abrikosov
Physical Review B 84 (9), 094422, 2011
262011
Tuning the magnetocrystalline anisotropy of by alloying
OY Vekilova, B Fayyazi, KP Skokov, O Gutfleisch, C Echevarria-Bonet, ...
Physical Review B 99 (2), 024421, 2019
232019
Ionic conductivity in Gd-doped CeO 2: Ab initio color-diffusion nonequilibrium molecular dynamics study
JO Nilsson, OY Vekilova, O Hellman, J Klarbring, SI Simak, ...
Physical Review B 93 (2), 024102, 2016
222016
Oxygen diffusion in ceria doped with rare-earth elements
JO Nilsson, M Leetmaa, OY Vekilova, SI Simak, NV Skorodumova
Physical Chemistry Chemical Physics 19 (21), 13723-13730, 2017
202017
Elastic properties of body-centered cubic iron in Earth's inner core
AB Belonoshko, SI Simak, W Olovsson, OY Vekilova
Physical Review B 105 (18), L180102, 2022
152022
Electronic correlations in Fe at Earth's inner core conditions: Effects of alloying with Ni
OY Vekilova, LV Pourovskii, IA Abrikosov, SI Simak
Physical Review B 91 (24), 245116, 2015
152015
Localized versus itinerant character of 4f-states in cerium oxides
HC Herper, OY Vekilova, SI Simak, I Di Marco, O Eriksson
Journal of Physics: Condensed Matter 32 (21), 215502, 2020
112020
The CeFe11Ti permanent magnet: A closer look at the microstructure of the compound
R Martinez-Casado, A Dasmahapatra, MF Sgroi, C Romero-Muñiz, ...
Journal of Physics: Condensed Matter 31 (50), 505505, 2019
112019
Data-driven design of a new class of rare-earth free permanent magnets
A Vishina, D Hedlund, V Shtender, EK Delczeg-Czirjak, SR Larsen, ...
Acta Materialia 212, 116913, 2021
102021
Ionic conductivity in Sm-doped ceria from first-principles non-equilibrium molecular dynamics
J Klarbring, OY Vekilova, JO Nilsson, NV Skorodumova, SI Simak
Solid State Ionics 296, 47-53, 2016
102016
Ab-initio study of the electronic structure and magnetic properties of Ce2Fe17
A Vishina, O Eriksson, OY Vekilova, A Bergman, HC Herper
Journal of Alloys and Compounds 888, 161521, 2021
82021
Formation and Polymorphism of Semiconducting K2SiH6 and Strategy for Metallization
OY Vekilova, DC Beyer, S Bhat, R Farla, V Baran, SI Simak, H Kohlmann, ...
Inorganic Chemistry 62 (21), 8093-8100, 2023
52023
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