HAJNAL Zoltán, Ph.D.
HAJNAL Zoltán, Ph.D.
freelance consultant (past: senior research fellow @ MFA, Budapest, Hungary)
Verified email at - Homepage
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A self-consistent charge density-functional based tight-binding method for predictive materials simulations in physics, chemistry and biology
T Frauenheim, G Seifert, M Elsterner, Z Hajnal, G Jungnickel, D Porezag, ...
physica status solidi(b) 217 (1), 41-62, 2000
Atomistic simulations of complex materials: ground-state and excited-state properties
T Frauenheim, G Seifert, M Elstner, T Niehaus, C Köhler, M Amkreutz, ...
Journal of Physics: Condensed Matter 14 (11), 3015, 2002
Role of oxygen vacancy defect states in the n-type conduction of β-Ga 2 O 3
Z Hajnal, J Miró, G Kiss, F Réti, P Deák, RC Herndon, JM Kuperberg
Journal of applied physics 86 (7), 3792-3796, 1999
Defects in SiO 2 as the possible origin of near interface traps in the SiC∕ SiO 2 system: A systematic theoretical study
JM Knaup, P Deák, T Frauenheim, A Gali, Z Hajnal, WJ Choyke
Physical Review B 72 (11), 115323, 2005
Theoretical study of the mechanism of dry oxidation of 4H-SiC
JM Knaup, P Deák, T Frauenheim, A Gali, Z Hajnal, WJ Choyke
Physical Review B 71 (23), 235321, 2005
Structure of the silicon vacancy in 6H-SiC after annealing identified as the carbon vacancy–carbon antisite pair
T Lingner, S Greulich-Weber, JM Spaeth, U Gerstmann, E Rauls, Z Hajnal, ...
Physical Review B 64 (24), 245212, 2001
Density-functional-based predictions of Raman and IR spectra for small Si clusters
K Jackson, MR Pederson, D Porezag, Z Hajnal, T Frauenheim
Physical Review B 55 (4), 2549, 1997
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
Tubular structures of GaS
T Köhler, T Frauenheim, Z Hajnal, G Seifert
Physical Review B 69 (19), 193403, 2004
Metastability of the Neutral Silicon Vacancy in 4H‐SiC
E Rauls, T Lingner, Z Hajnal, S Greulich‐Weber, T Frauenheim, ...
physica status solidi (b) 217 (2), r1-r3, 2000
Vibrational signatures for low-energy intermediate-sized Si clusters
MR Pederson, K Jackson, DV Porezag, Z Hajnal, T Frauenheim
Physical Review B 54 (4), 2863, 1996
Hydrogenated and deuterated iron clusters: Infrared spectra and density functional calculations
MB Knickelbein, GM Koretsky, KA Jackson, MR Pederson, Z Hajnal
The Journal of chemical physics 109, 10692, 1998
Isolated oxygen defects in 3C-and 4H-SiC: A theoretical study
A Gali, D Heringer, P Deák, Z Hajnal, T Frauenheim, RP Devaty, ...
Physical Review B 66 (12), 125208, 2002
Tubular structures of germanium
G Seifert, T Köhler, Z Hajnal, T Frauenheim
Solid state communications 119 (12), 653-657, 2001
Simulation of physical properties of the chalcogenide glass As 2 S 3 using a density-functional-based tight-binding method
SI Simdyankin, SR Elliott, Z Hajnal, TA Niehaus, T Frauenheim
Physical Review B 69 (14), 144202, 2004
Channeling-like effects due to the macroscopic structure of porous silicon
Z Hajnal, E Szilágyi, F Pászti, G Battistig
Nuclear Instruments and Methods in Physics Research Section B: Beam …, 1996
Theoretical study of the nonpolar surfaces and their oxygen passivation in 4H-and 6H-SiC
E Rauls, Z Hajnal, P Deak, T Frauenheim
Physical Review B 64 (24), 245323, 2001
Theoretical study of the adsorption of a PTCDA monolayer on S-passivated GaAs (100)
B Szucs, Z Hajnal, R Scholz, S Sanna, T Frauenheim
Applied surface science 234 (1-4), 173-177, 2004
Physics and chemistry of hydrogen in the vacancies of semiconductors
B Szűcs, A Gali, Z Hajnal, P Deák, CG Van de Walle
Physical Review B 68 (8), 085202, 2003
Theoretical study of the luminescent substoichiometric silicon oxides (SiO x)
Z Hajnal, P Deák, T Köhler, R Kaschner, T Frauenheim
Solid state communications 108 (2), 93-97, 1998
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