Publications of Matthias Scheffler

Xie, J., S. de Gironcoli, S. Baroni and M. Scheffler: Temperature dependent surface relaxations of Ag(111). Physical Review B 59 (2), 970–974 (1999).

Xie, J., S. de Gironcoli, S. Baroni and M. Scheffler: First-principles calculation of the thermal properties of silver. Physical Review B 59 (2), 965–969 (1999).

Boisvert, G., L.J. Lewis and M. Scheffler: Island morphology and adatom self-diffusion on Pt(111). Physical Review B 57 (3), 1881–1889 (1998).

Fuchs, M., M. Bockstedte, E. Pehlke and M. Scheffler: Pseudopotential study of binding properties of solids within generalized gradient approximations: The role of core-valence exchange correlation. Physical Review B 57 (4), 2134–2145 (1998).

Groß, A. and M. Scheffler: Ab initio quantum and molecular dynamics of the dissociative adsorption of hydrogen on Pd(100). Physical Review B 57 (4), 2493–2506 (1998).

Groß, A., C.-M. Wei and M. Scheffler: Poisoning of hydrogen dissociation at Pd(100) by adsorbed sulfur studied by ab initio quantum dynamics and ab initio molecular dynamics. Surface Science 416 (1-2), L1095–L1100 (1998).

Kratzer, P., C.G. Morgan and M. Scheffler: Density-functional theory studies on microscopic processes of GaAs growth. Progress in Surface Science 59 (1-4), 135–147 (1998).

Kratzer, P., E. Pehlke, M. Scheffler, M.B. Raschke and U. Höfer: Highly site-specific H₂ adsorption on vicinal Si(001) surfaces. Physical Review Letters 81 (25), 5596–5599 (1998).

Moll, N., M. Scheffler and E. Pehlke: Influence of surface stress on the equilibrium shape of strained quantum dots. Physical Review B 58 (8), 4566–4571 (1998).

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

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

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

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

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

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

Stampfl, C., K. Kambe, R. Fasel, P. Aebi and M. Scheffler: 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), 15251–15260 (1998).

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

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

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

Wei, C.M., A. Groß and M. Scheffler: 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), 15572–15584 (1998).