| Accurate defect levels obtained from the HSE06 range-separated hybrid functional P Deák, B Aradi, T Frauenheim, E Janzén, A Gali Physical Review B—Condensed Matter and Materials Physics 81 (15), 153203, 2010 | 399 | 2010 |
| Theory of Spin-Conserving Excitation of the Center in Diamond A Gali, E Janzén, P Deák, G Kresse, E Kaxiras Physical review letters 103 (18), 186404, 2009 | 305 | 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 | 282 | 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 | 280 | 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 | 273 | 1993 |
| Advanced Calculations for Defects in Materials A Alkauskas, P Deák, J Neugebauer, A Pasquarello, CG Van de Walle | 266* | 2010 |
| 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 | 250 | 2017 |
| 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 | 241 | 1992 |
| Polaronic effects in TiO calculated by the HSE06 hybrid functional: Dopant passivation by carrier self-trapping P Deák, B Aradi, T Frauenheim Physical Review B—Condensed Matter and Materials Physics 83 (15), 155207, 2011 | 226 | 2011 |
| Quantitative theory of the oxygen vacancy and carrier self-trapping in bulk TiO P Deák, B Aradi, T Frauenheim Physical Review B—Condensed Matter and Materials Physics 86 (19), 195206, 2012 | 222 | 2012 |
| Band lineup and charge carrier separation in mixed rutile-anatase systems P Deák, B Aradi, T Frauenheim The Journal of Physical Chemistry C 115 (8), 3443-3446, 2011 | 214 | 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—Condensed Matter and Materials Physics 72 (11), 115323, 2005 | 204 | 2005 |
| 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 | 199 | 2007 |
| State and motion of hydrogen in crystalline silicon P Deák, LC Snyder, JW Corbett Physical Review B 37 (12), 6887, 1988 | 192 | 1988 |
| 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—Condensed Matter and Materials Physics 71 (23), 235321, 2005 | 187 | 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 | 170 | 2014 |
| Origin of photoluminescence in QD Ho, T Frauenheim, P Deák Physical Review B 97 (11), 115163, 2018 | 158 | 2018 |
| Shallow thermal donor defects in silicon CP Ewels, R Jones, S Öberg, J Miro, P Deák Physical review letters 77 (5), 865, 1996 | 158 | 1996 |
| Theoretical studies on the core structure of the 450 C oxygen thermal donors in silicon P Deák, LC Snyder, JW Corbett Physical Review B 45 (20), 11612, 1992 | 129 | 1992 |
| Theoretical investigation of carbon defects and diffusion in α-quartz C Köhler, Z Hajnal, P Deák, T Frauenheim, S Suhai Physical Review B 64 (8), 085333, 2001 | 128 | 2001 |
