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
908 2002 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
845 2003 Lattice dynamics of anharmonic solids from first principles O Hellman, IA Abrikosov, SI Simak
Physical Review B—Condensed Matter and Materials Physics 84 (18), 180301, 2011
720 2011 Temperature dependent effective potential method for accurate free energy calculations of solids O Hellman, P Steneteg, IA Abrikosov, SI Simak
Physical Review B—Condensed Matter and Materials Physics 87 (10), 104111, 2013
630 2013 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
616 2006 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
509 2001 Modeling of DA Andersson, SI Simak, B Johansson, IA Abrikosov, NV Skorodumova
Physical Review B—Condensed Matter and Materials Physics 75 (3), 035109, 2007
435 2007 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
272 1997 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
265 1996 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
251 2007 Mixing and decomposition thermodynamics of B Alling, AV Ruban, A Karimi, OE Peil, SI Simak, L Hultman, IA Abrikosov
Physical Review B—Condensed Matter and Materials Physics 75 (4), 045123, 2007
243 2007 Synthesis of Ti3 AuC2 , Ti3 Au2 C2 and Ti3 IrC2 by noble metal substitution reaction in Ti3 SiC2 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
221 2017 Atomic and magnetic configurational energetics by the generalized perturbation method AV Ruban, S Shallcross, SI Simak, HL Skriver
Physical Review B—Condensed Matter and Materials Physics 70 (12), 125115, 2004
179 2004 Superhard semiconducting optically transparent high pressure phase of boron EY Zarechnaya, L Dubrovinsky, N Dubrovinskaia, Y Filinchuk, ...
Physical review letters 102 (18), 185501, 2009
177 2009 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
175 2008 Magnetic anisotropy of T Burkert, O Eriksson, SI Simak, AV Ruban, B Sanyal, L Nordström, ...
Physical Review B—Condensed Matter and Materials Physics 71 (13), 134411, 2005
167 2005 Lead‐Free Halide Double Perovskite Cs2 AgBiBr6 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
163 2020 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
156 2019 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—Condensed Matter and Materials Physics 76 (1), 014434, 2007
151 2007 Stabilization of body-centred cubic iron under inner-core conditions AB Belonoshko, T Lukinov, J Fu, J Zhao, S Davis, SI Simak
Nature Geoscience 10 (4), 312-316, 2017
136 2017 
Lars Hultman, Professor, PhDLinköping University, Department of Physics, IFMAdresse e-mail validée de ifm.liu.se