| 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 | 738 | 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 | 704 | 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 | 275 | 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 | 196 | 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 | 186 | 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 | 127 | 2001 |
| 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 | 125 | 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 | 101 | 1997 |
| Tubular structures of GaS T Köhler, T Frauenheim, Z Hajnal, G Seifert Physical Review B 69 (19), 193403, 2004 | 85 | 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 | 68 | 2000 |
| Tubular structures of germanium G Seifert, T Köhler, Z Hajnal, T Frauenheim Solid state communications 119 (12), 653-657, 2001 | 53 | 2001 |
| 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 | 52 | 1998 |
| 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 | 52 | 1996 |
| 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 | 51 | 2002 |
| 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 | 50 | 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 | 42 | 1996 |
| 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 | 38 | 2004 |
| 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 | 38 | 2001 |
| Spiral-Shaped Piezoelectric MEMS Cantilever Array for Fully Implantable Hearing Systems P Udvardi, J Radó, A Straszner, J Ferencz, Z Hajnal, S Soleimani, ... Micromachines 8 (10), 311, 2017 | 34 | 2017 |
| Physics and chemistry of hydrogen in the vacancies of semiconductors B Szûcs, A Gali, Z Hajnal, P Deák, CG Van de Walle Physical Review B 68 (8), 085202, 2003 | 34 | 2003 |
Thomas FrauenheimProfessor für Computational Materials Science在 bccms.uni-bremen.de 的电子邮件经过验证
