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 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 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
221 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 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 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 