Items where Author is "Frauenheim, Th."

Knaup, J. and Deák, P. and Frauenheim, Th. and Gali, Ádám and Hajnal, Zoltán and Choyke, W. (2005) Defects in SiO2 as the possible origin of near interface traps in the SiC∕SiO2 system: A systematic theoretical study. Physical Review B (Condensed Matter and Materials Physics), 72 (11). No. 115323. ISSN 1098-0121

Chaudhuri, I. and Sertl, S. and Hajnal, Zoltán and Dellnitz, M. and Frauenheim, Th. (2004) Global optimization of silicon nanoclusters. Applied Surface Science, 226 (1-3). pp. 108-113. ISSN 0169-4332

Simdyankin, S. and Elliott, S. and Hajnal, Zoltán and Niehaus, T. and Frauenheim, Th. (2004) Simulation of physical properties of the chalcogenide glass As2S3 using a density-functional-based tight-binding method. Physical Review B (Condensed Matter and Materials Physics), 69 (14). No. 144202. ISSN 1098-0121

Szűcs, B. and Hajnal, Zoltán and Scholz, R. and Sanna, S. and Frauenheim, Th. (2004) Theoretical study of the adsorption of a PTCDA monolayer on S-passivated GaAs(l00). Applied Surface Science, 234 (1-4). pp. 173-177. ISSN 0169-4332

Köhler, Th. and Frauenheim, Th. and Hajnal, Zoltán and Seifert, G. (2004) Tubular structures of GaS. Physical Review B (Condensed Matter and Materials Physics), 69 (19). No. 193403. ISSN 1098-0121

Szűcs, B. and Hajnal, Zoltán and Frauenheim, Th. and Gonzalez, C. and Ortega, J. and Perez, R. and Flores, F. (2003) Chalcogen passivation of GaAs(1 0 0) surfaces: theoretical study. Applied Surface Science, 212-13. pp. 861-865. ISSN 0169-4332

Deák, P. and Gali, Ádám and Knaup, J. and Hajnal, Zoltán and Frauenheim, Th. and Ordejón, P. and Choyke, J.W. (2003) Defects of the SiC/SiO2 interface: energetics of the elementary steps of the oxidation reaction. Physica B: Condensed Matter, 340-42. pp. 1069-1073. ISSN 0921-4526

Gali, Ádám and Heringer, D. and Deák, P. and Hajnal, Zoltán and Frauenheim, Th. and Devaty, R. and Choyke, W. (2002) Isolated oxygen defects in 3C- and 4H-SiC: A theoretical study. Physical Review B (Condensed Matter and Materials Physics), 66 (12). No. 125208. ISSN 1098-0121

Rauls, E. and Staab, T. E. M. and Hajnal, Zoltán and Frauenheim, Th. (2001) Interstitial-based vacancy annealing in 4H–SiC. Physica B: Condensed Matter, 308-10. pp. 645-648. ISSN 0921-4526

Lingner, Th. and Greulich-Weber, S. and Spaeth, J. M. and Gerstmann, U. and Rauls, E. and Hajnal, Zoltán and Frauenheim, Th. and Overhof, H. (2001) Structure of the silicon vacancy in 6H-SiC after annealing identified as the carbon vacancy–carbon antisite pair. Physical Review B (Condensed Matter and Materials Physics), 64 (24). No. 245212. ISSN 1098-0121

Rauls, E. and Hajnal, Zoltán and Deák, P. and Frauenheim, Th. (2001) Theoretical study of the nonpolar surfaces and their oxygen passivation in 4H- and 6H-SiC. Physical Review B (Condensed Matter and Materials Physics), 64 (24). No. 245323. ISSN 1098-0121

Hajnal, Zoltán and Deák, P. and Köhler, Th. and Kaschner, R. and Frauenheim, Th. (1998) Theoretical study of the luminescent substoichiometric silicon oxides (SiOx). Solid State Communications, 108 (2). pp. 93-97. ISSN 0038-1098

Pederson, Mark and Jackson, Koblar and Porezag, D. and Hajnal, Zoltán and Frauenheim, Th. (1996) Vibrational signatures for low-energy intermediate-sized Si clusters. Physical Review B (Condensed Matter and Materials Physics), 54 (4). pp. 2863-2867. ISSN 1098-0121