Publications of Matthias Scheffler

Neugebauer, J.; Zywietz, T. K.; Scheffler, M.; Northrup, J. E.; Van de Walle, C. G.: Clean and As-covered zinc-blende GaN (001) surfaces: Novel surface structures and surfactant behavior. Physical Review Letters 80 (14), pp. 3097 - 3100 (1998)

Pohl, K.; Cho, J.-H.; Terakura, K.; Scheffler, M.; Plummer, E. W.: Anomalously large thermal expansion at the (0001) surface of beryllium without observable interlayer anharmonicity. Physical Review Letters 80 (13), pp. 2853 - 2856 (1998)

Ratsch, C.; Scheffler, M.: Density-functional theory calculations of hopping rates of surface diffusion. Physical Review B 58 (19), pp. 13163 - 13166 (1998)

Ruggerone, P.; Kley, A.; Scheffler, M.: Bridging the length and time scales: from ab initio electronic structure calculations to macroscopic proportions. Comments on Condensed Matter Physics 18, pp. 261 - 277 (1998)

Schwarz, G.; Kley, A.; Neugebauer, J.; Neugebauer, J.; Scheffler, M.: Electronic and structural properties of vacancies on and below the GaP(110) surface. Physical Review B 58, pp. 1392 - 1400 (1998)

Schwegmann, S.; Seitsonen, A. P.; Renzi, V. D.; Dietrich, H.; Bludau, H.; Gierer, M.; Over, H.; Jacobi, K.; Scheffler, M.; Ertl, G.: Oxygen adsorption on the Ru(101¯0) surface: Anomalous coverage dependence. Physical Review B 57 (24), pp. 15487 - 15495 (1998)

Stampfl, C.; Kambe, K.; Fasel, R.; Aebi, P.; Scheffler, M.: Theoretical analysis of the electronic structure of the stable and metastable c(2x2) phases of Na on Al(001): Comparison with angle-resolved ultraviolet photoemission spectra. Physical Review B 57 (24), pp. 15251 - 15260 (1998)

Stampfl, C.; Scheffler, M.: Coadsorption of CO and O on Ru(0001): A structural analysis by density functional theory. Israel Journal of Chemistry 38 (4), pp. 409 - 414 (1998)

Wagner, F.; Laloyaux, T.; Scheffler, M.: Errors in Hellmann-Feynman forces due to occupation-number broadening and how they can be corrected. Physical Review B 57 (4), pp. 2102 - 2107 (1998)

Wang, X.-G.; Weiss, W.; Shaikhutdinov, S. K.; Ritter, M.; Petersen, M.; Wagner, F.; Schlögl, R.; Scheffler, M.: The Hematite (α-Fe₂O₃) (0001) Surface: Evidence for Domains of Distinct Chemistry. Physical Review Letters 81 (5), pp. 1038 - 1041 (1998)

Wei, C. M.; Groß, A.; Scheffler, M.: Ab initio calculation of the potential energy surface for the dissociation of H₂ on the sulfur-covered Pd(100) surface. Physical Review B 57 (24), pp. 15572 - 15584 (1998)

Xie, J.; Scheffler, M.: Structure and dynamics of Rh surfaces. Physical Review B 57 (8), pp. 4768 - 4775 (1998)

Zywietz, T. K.; Neugebauer, J.; Scheffler, M.: Adatom diffusion at GaN(0001) and (0001̄) surfaces. Applied Physics Letters 73 (4), pp. 487 - 489 (1998)

Zywietz, T. K.; Neugebauer, J.; Scheffler, M.; Northrup, J. E.: Novel reconstruction mechanisms: A comparison between group-III-nitrides and "traditional" III-V-semiconductors. Psi-k Newsletter 29, pp. 112 - 124 (1998)

Zywietz, T. K.; Neugebauer, J.; Scheffler, M.; Northrup, J. E.; Van de Walle, C. G.: Surface structures, surfactants and diffusion at cubic and wurtzite GaN. MRS Internet Journal of Nitride Semiconductor Research 3, e26 (1998)

Yu, B. D.; Scheffler, M.: Physical origin of exchange diffusion on fcc(100) metal surfaces. Physical Review B 56 (24), pp. R15569 - R15572 (1997)

Alippi, P.; Marcus, P. M.; Scheffler, M.: Strained tetragonal states and bain paths in metals. Physical Review Letters 78 (20), pp. 3892 - 3895 (1997)

Arnold, M.; Hupfauer, G.; Bayer, P.; Hammer, L.; Heinz, K.; Kohler, B.; Scheffler, M.: Hydrogen on W(110): an adsorption structure revisited. Surface Science 382 (1-3), pp. 288 - 299 (1997)

Bockstedte, M.; Kley, A.; Neugebauer, J.; Scheffler, M.: Density-functional theory calculations for poly-atomic systems: electronic structure, static and elastic properties and ab initio molecular dynamics. Computer Physics Communications 107 (1-3), pp. 187 - 222 (1997)

Bockstedte, M.; Scheffler, M.: Theory of Self-Diffusion in GaAs. Zeitschrift für Physikalische Chemie 200 (1-2), pp. 195 - 207 (1997)