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Sergei Simak
Sergei Simak
Professor of Theoretical Physics, Linköping University
Verified email at ifm.liu.se
Title
Cited by
Cited by
Year
Quantum origin of the oxygen storage capability of ceria
NV Skorodumova, SI Simak, BI Lundqvist, IA Abrikosov, B Johansson
Physical Review Letters 89 (16), 166601, 2002
8572002
Van der Waals density functional for layered structures
H Rydberg, M Dion, N Jacobson, E Schröder, P Hyldgaard, SI Simak, ...
Physical review letters 91 (12), 126402, 2003
8172003
Lattice dynamics of anharmonic solids from first principles
O Hellman, IA Abrikosov, SI Simak
Physical Review B 84 (18), 180301, 2011
6192011
Optimization of ionic conductivity in doped ceria
DA Andersson, SI Simak, NV Skorodumova, IA Abrikosov, B Johansson
Proceedings of the National Academy of Sciences 103 (10), 3518-3521, 2006
5922006
Temperature dependent effective potential method for accurate free energy calculations of solids
O Hellman, P Steneteg, IA Abrikosov, SI Simak
Physical Review B 87 (10), 104111, 2013
5342013
Electronic, bonding, and optical properties of CeO 2 and Ce 2 O 3 from first principles
NV Skorodumova, R Ahuja, SI Simak, IA Abrikosov, B Johansson, ...
Physical Review B 64 (11), 115108, 2001
4832001
Modeling of , , and in the formalism
DA Andersson, SI Simak, B Johansson, IA Abrikosov, NV Skorodumova
Physical Review B 75 (3), 035109, 2007
4242007
Order-N Green's function technique for local environment effects in alloys
IA Abrikosov, AMN Niklasson, SI Simak, B Johansson, AV Ruban, ...
Physical review letters 76 (22), 4203, 1996
2661996
Locally self-consistent Green’s function approach to the electronic structure problem
IA Abrikosov, SI Simak, B Johansson, AV Ruban, HL Skriver
Physical Review B 56 (15), 9319, 1997
2611997
Body-centered cubic iron-nickel alloy in Earth's core
L Dubrovinsky, N Dubrovinskaia, O Narygina, I Kantor, A Kuznetzov, ...
Science 316 (5833), 1880-1883, 2007
2442007
Mixing and decomposition thermodynamics of c− Ti 1− x Al x N from first-principles calculations
B Alling, AV Ruban, A Karimi, OE Peil, SI Simak, L Hultman, IA Abrikosov
Physical Review B 75 (4), 045123, 2007
2372007
Synthesis of Ti3AuC2, Ti3Au2C2 and Ti3IrC2 by noble metal substitution reaction in Ti3SiC2 for high-temperature-stable Ohmic contacts to SiC
H Fashandi, M Dahlqvist, J Lu, J Palisaitis, SI Simak, IA Abrikosov, ...
Nature materials 16 (8), 814-818, 2017
1772017
Superhard semiconducting optically transparent high pressure phase of boron
EY Zarechnaya, L Dubrovinsky, N Dubrovinskaia, Y Filinchuk, ...
Physical review letters 102 (18), 185501, 2009
1722009
Atomic and magnetic configurational energetics by the generalized perturbation method
AV Ruban, S Shallcross, SI Simak, HL Skriver
Physical review B 70 (12), 125115, 2004
1642004
Molybdenum at high pressure and temperature: melting from another solid phase
AB Belonoshko, L Burakovsky, SP Chen, B Johansson, AS Mikhaylushkin, ...
Physical review letters 100 (13), 135701, 2008
1622008
Magnetic anisotropy of L 1 0 FePt and Fe 1− x Mn x Pt
T Burkert, O Eriksson, SI Simak, AV Ruban, B Sanyal, L Nordström, ...
Physical Review B 71 (13), 134411, 2005
1612005
To Kurashima-san 論文掲載おめでとうございます! Nature Communications
倉島洋介
Nature communications 3 (1034), 2012
1462012
Competition between magnetic structures in the Fe rich fcc FeNi alloys
IA Abrikosov, AE Kissavos, F Liot, B Alling, SI Simak, O Peil, AV Ruban
Physical Review B 76 (1), 014434, 2007
1452007
Thermochromic lead‐free halide double perovskites
W Ning, XG Zhao, J Klarbring, S Bai, F Ji, F Wang, SI Simak, Y Tao, ...
Advanced Functional Materials 29 (10), 1807375, 2019
1332019
Lead‐Free Halide Double Perovskite Cs2AgBiBr6 with Decreased Band Gap
F Ji, J Klarbring, F Wang, W Ning, L Wang, C Yin, JSM Figueroa, ...
Angewandte Chemie 132 (35), 15303-15306, 2020
1302020
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