Accurate defect levels obtained from the HSE06 range-separated hybrid functional P Deák, B Aradi, T Frauenheim, E Janzén, A Gali Physical Review B 81 (15), 153203, 2010 | 375 | 2010 |
Theory of spin-conserving excitation of the N− V− center in diamond A Gali, E Janzén, P Deák, G Kresse, E Kaxiras Physical review letters 103 (18), 186404, 2009 | 281 | 2009 |
Role of oxygen vacancy defect states in the n-type conduction of Z Hajnal, J Miró, G Kiss, F Réti, P Deák, RC Herndon, JM Kuperberg Journal of applied physics 86 (7), 3792-3796, 1999 | 270 | 1999 |
Formation of NV centers in diamond: A theoretical study based on calculated transitions and migration of nitrogen and vacancy related defects P Deák, B Aradi, M Kaviani, T Frauenheim, A Gali Physical review B 89 (7), 075203, 2014 | 263 | 2014 |
Porous silicon and siloxene: Vibrational and structural properties HD Fuchs, M Stutzmann, MS Brandt, M Rosenbauer, J Weber, ... Physical Review B 48 (11), 8172, 1993 | 261 | 1993 |
Advanced Calculations for Defects in Materials A Alkauskas, P Deák, J Neugebauer, A Pasquarello, CG Van de Walle | 248* | 2010 |
Siloxene: Chemical quantum confinement due to oxygen in a silicon matrix P Deak, M Rosenbauer, M Stutzmann, J Weber, MS Brandt Physical review letters 69 (17), 2531, 1992 | 239 | 1992 |
Choosing the correct hybrid for defect calculations: A case study on intrinsic carrier trapping in P Deák, Q Duy Ho, F Seemann, B Aradi, M Lorke, T Frauenheim Physical Review B 95 (7), 075208, 2017 | 233 | 2017 |
Polaronic effects in TiO 2 calculated by the HSE06 hybrid functional: Dopant passivation by carrier self-trapping P Deák, B Aradi, T Frauenheim Physical Review B 83 (15), 155207, 2011 | 214 | 2011 |
Quantitative theory of the oxygen vacancy and carrier self-trapping in bulk TiO 2 P Deák, B Aradi, T Frauenheim Physical Review B 86 (19), 195206, 2012 | 210 | 2012 |
Band lineup and charge carrier separation in mixed rutile-anatase systems P Deak, B Aradi, T Frauenheim The Journal of Physical Chemistry C 115 (8), 3443-3446, 2011 | 207 | 2011 |
Defects in as the possible origin of near interface traps in the system: A systematic theoretical study JM Knaup, P Deák, T Frauenheim, A Gali, Z Hajnal, WJ Choyke Physical review B 72 (11), 115323, 2005 | 197 | 2005 |
State and motion of hydrogen in crystalline silicon P Deák, LC Snyder, JW Corbett Physical Review B 37 (12), 6887, 1988 | 195 | 1988 |
The mechanism of defect creation and passivation at the SiC/SiO2 interface P Deák, JM Knaup, T Hornos, C Thill, A Gali, T Frauenheim Journal of Physics D: Applied Physics 40 (20), 6242, 2007 | 192 | 2007 |
Theoretical study of the mechanism of dry oxidation of -SiC JM Knaup, P Deák, T Frauenheim, A Gali, Z Hajnal, WJ Choyke Physical review B 71 (23), 235321, 2005 | 185 | 2005 |
Proper surface termination for luminescent near-surface NV centers in diamond M Kaviani, P Deák, B Aradi, T Frauenheim, JP Chou, A Gali Nano letters 14 (8), 4772-4777, 2014 | 164 | 2014 |
Shallow thermal donor defects in silicon CP Ewels, R Jones, S Öberg, J Miro, P Deák Physical review letters 77 (5), 865, 1996 | 157 | 1996 |
Origin of photoluminescence in QD Ho, T Frauenheim, P Deák Physical Review B 97 (11), 115163, 2018 | 140 | 2018 |
Ab initio density-functional supercell calculations of hydrogen defects in cubic SiC B Aradi, A Gali, P Deák, JE Lowther, NT Son, E Janzén, WJ Choyke Physical Review B 63 (24), 245202, 2001 | 123 | 2001 |
Aggregation of carbon interstitials in silicon carbide: A theoretical study A Gali, P Deák, P Ordejón, NT Son, E Janzén, WJ Choyke Physical Review B 68 (12), 125201, 2003 | 121 | 2003 |