Managing the supercell approximation for charged defects in semiconductors: Finite-size scaling, charge correction factors, the band-gap problem, and the ab initio dielectric … CWM Castleton, A Höglund, S Mirbt
Physical Review B 73 (3), 035215, 2006
235 2006 Surface magnetism in iron, cobalt, and nickel M Alde, S Mirbt, HL Skriver, NM Rosengaard, B Johansson
Physical Review B 46 (10), 6303, 1992
231 1992 Electronic structure and magnetism of Mn-doped GaN B Sanyal, O Bengone, S Mirbt
Physical Review B 68 (20), 205210, 2003
177 2003 Surface energy and magnetism of the 3d metals M Aldén, HL Skriver, S Mirbt, B Johansson
Surface science 315 (1-2), 157-172, 1994
141 1994 Surface phase diagram of (2× 4) and (4× 2) reconstructions of GaAs (001) WG Schmidt, S Mirbt, F Bechstedt
Physical Review B 62 (12), 8087, 2000
114 2000 Density functional theory calculations of defect energies using supercells CWM Castleton, A Höglund, S Mirbt
Modelling and Simulation in Materials Science and Engineering 17 (8), 084003, 2009
106 2009 First-principles calculations of Fe on GaAs (100) S Mirbt, B Sanyal, C Isheden, B Johansson
Physical Review B 67 (15), 155421, 2003
93 2003 Magnetic coupling in 3d transition-metal monolayers and bilayers on bcc (100) iron S Mirbt, O Eriksson, B Johansson, HL Skriver
Physical Review B 52 (21), 15070, 1995
92 1995 Magnetic and electronic structure of L Bergqvist, PA Korzhavyi, B Sanyal, S Mirbt, IA Abrikosov, L Nordström, ...
Physical Review B 67 (20), 205201, 2003
91 2003 Finite-size scaling as a cure for supercell approximation errors in calculations of neutral native defects in CWM Castleton, S Mirbt
Physical Review B 70 (19), 195202, 2004
89 2004 A systematic study of polarons due to oxygen vacancy formation at the rutile TiO2 (110) surface by GGA+ U and HSE06 methods T Shibuya, K Yasuoka, S Mirbt, B Sanyal
Journal of Physics: Condensed Matter 24 (43), 435504, 2012
80 2012 Improved electronic structure and optical properties of sp-hybridized semiconductors using LDA+ U SIC C Persson, S Mirbt
Brazilian journal of physics 36, 286-290, 2006
75 2006 Calculated surface-energy anomaly in the 3d metals M Aldén, HL Skriver, S Mirbt, B Johansson
Physical review letters 69 (15), 2296, 1992
74 1992 Calculated oscillation periods of the interlayer coupling in Fe/Cr/Fe and Fe/Mo/Fe sandwiches S Mirbt, AMN Niklasson, B Johansson, HL Skriver
Physical Review B 54 (9), 6382, 1996
66 1996 Point defects on the (110) surfaces of A Höglund, CWM Castleton, M Göthelid, B Johansson, S Mirbt
Physical Review B 74 (7), 075332, 2006
60 2006 Magnetic properties of Fe embedded in V and Cr: ff thin films and dilute alloys S Mirbt, IA Abrikosov, B Johansson, HL Skriver
Physical Review B 55 (1), 67, 1997
56 1997 Anomalous Bismuth-Stabilized ( P Laukkanen, MPJ Punkkinen, HP Komsa, M Ahola-Tuomi, K Kokko, ...
Physical review letters 100 (8), 086101, 2008
45 2008 Quantum-well-induced ferromagnetism in thin films AMN Niklasson, S Mirbt, HL Skriver, B Johansson
Physical Review B 56 (6), 3276, 1997
45 1997 Cation-rich (100) surface reconstructions of InP and GaP S Mirbt, N Moll, K Cho, JD Joannopoulos
Physical Review B 60 (19), 13283, 1999
42 1999 Bismuth-stabilized MPJ Punkkinen, P Laukkanen, HP Komsa, M Ahola-Tuomi, N Räsänen, ...
Physical Review B 78 (19), 195304, 2008
41 2008 