| 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 | 236 | 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 | 227 | 1992 |
| Electronic structure and magnetism of Mn-doped GaN B Sanyal, O Bengone, S Mirbt Physical Review B 68 (20), 205210, 2003 | 178 | 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 | 143 | 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 | 111 | 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 | 101 | 2009 |
| 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 |
| First-principles calculations of Fe on GaAs (100) S Mirbt, B Sanyal, C Isheden, B Johansson Physical Review B 67 (15), 155421, 2003 | 91 | 2003 |
| Magnetic and electronic structure of L Bergqvist, PA Korzhavyi, B Sanyal, S Mirbt, IA Abrikosov, L Nordström, ... Physical Review B 67 (20), 205201, 2003 | 88 | 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 | 87 | 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 |
| Calculated surface-energy anomaly in the 3d metals M Aldén, HL Skriver, S Mirbt, B Johansson Physical review letters 69 (15), 2296, 1992 | 73 | 1992 |
| 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 | 72 | 2006 |
| 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 | 68 | 1996 |
| 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 |
| Point defects on the (110) surfaces of , , and : A comparison with bulk A Höglund, CWM Castleton, M Göthelid, B Johansson, S Mirbt Physical Review B 74 (7), 075332, 2006 | 55 | 2006 |
| Quantum-well-induced ferromagnetism in thin films AMN Niklasson, S Mirbt, HL Skriver, B Johansson Physical Review B 56 (6), 3276, 1997 | 46 | 1997 |
| Anomalous Bismuth-Stabilized () Reconstructions on GaAs(100) and InP(100) Surfaces P Laukkanen, MPJ Punkkinen, HP Komsa, M Ahola-Tuomi, K Kokko, ... Physical review letters 100 (8), 086101, 2008 | 44 | 2008 |
| Calculated oscillation periods of exchange coupling in Fe/Cr/Fe sandwiches S Mirbt, HL Skriver, M Aldén, B Johansson Solid state communications 88 (4), 331-335, 1993 | 43 | 1993 |
| Cation-rich (100) surface reconstructions of InP and GaP S Mirbt, N Moll, K Cho, JD Joannopoulos Physical Review B 60 (19), 13283, 1999 | 41 | 1999 |
