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Sergei Simak
Sergei Simak
Professor of Theoretical Physics, Linköping University
Verifierad e-postadress på ifm.liu.se
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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
8592002
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
8192003
Lattice dynamics of anharmonic solids from first principles
O Hellman, IA Abrikosov, SI Simak
Physical Review B 84 (18), 180301, 2011
6262011
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
5932006
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
5442013
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
4862001
Modeling of , , and in the formalism
DA Andersson, SI Simak, B Johansson, IA Abrikosov, NV Skorodumova
Physical Review B 75 (3), 035109, 2007
4252007
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
2462007
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
2382007
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
1862017
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
1662004
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
1642008
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
1482012
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
1482007
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
1342020
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
1342019
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Artiklar 1–20