Publications of Matthias Scheffler

Groß, A. and M. Scheffler: Scattering of hydrogen molecules from a reactive surface: strong off-specular and rotationally inelastic diffraction. Chemical Physics Letters 263 (3-4), 567–573 (1996).

Groß, A. and M. Scheffler: Gross and Scheffler Reply. Physical Review Letters 77 (2), 405–405 (1996).

Groß, A., S. Wilke and M. Scheffler: Six-dimensional quantum dynamics of adsorption and desorption of H₂ at Pd(100): no need for a molecular precursor adsorption state. Surface Science 357-358, 614–618 (1996).

Hennig, D., M.V. Ganduglia-Pirovano and M. Scheffler: Adlayer core-level shifts of admetal monolayers on transition metal substrates and their relation to the surface chemical reactivity. Physical Review B 53 (15), 10344–10347 (1996).

Kohler, B., P. Ruggerone and M. Scheffler: Anomalies in He atom scattering spectra of the H-covered Mo(110) and W(110) surfaces. Surface Science 368 (1-3), 213–221 (1996).

Kohler, B., P. Ruggerone, M. Scheffler and E. Tosatti: Enhanced electron-phonon coupling at the Mo and W(110) surfaces induced by adsorbed hydrogen. Zeitschrift für Physikalische Chemie 197, 193–202 (1996).

Kohler, B., S. Wilke, M. Scheffler, R. Kouba and C. Ambrosch-Draxl: Force calculation and atomic-structure optimization for the full-potential linearized augmented plane-wave code WIEN. Computer Physics Communications 94 (1), 31–48 (1996).

Moll, N., A. Kley, E. Pehlke and M. Scheffler: GaAs equilibrium crystal shape from first-principles. Physical Review B 54 (12), 8844–8855 (1996).

Petersen, M., S. Wilke, P. Ruggerone, B. Kohler and M. Scheffler: Scattering of rare-gas atoms at a metal surface: Evidence of anticorrugation of the helium-atom potential-energy surface and the surface electron density. Physical Review Letters 76 (6), 995–998 (1996).

Stampfl, C. and M. Scheffler: Theoretical study of O adlayers on Ru(0001). Physical Review B 54 (4), 2868–2872 (1996).

Stampfl, C., S. Schwegmann, H. Over, M. Scheffler and G. Ertl: Structure and stability of a high-coverage (1 x 1) oxygen phase on Ru(0001). Physical Review Letters 77 (16), 3371–3374 (1996).

Stumpf, R. and M. Scheffler: Ab initio calculations of energies and self-diffusion on flat and stepped surfaces of Al and their implications on crystal growth. Physical Review B 53 (8), 4958–4973 (1996).

Wilke, S., M.H. Cohen and M. Scheffler: Local isoelectronic reactivity of solid surfaces. Physical Review Letters 77 (8), 1560–1564 (1996).

Wilke, S. and M. Scheffler: Mechanism of poisoning the catalytic activity of Pd(100) by a sulfur adlayer. Physical Review Letters 76 (18), 3380–3383 (1996).

Wilke, S. and M. Scheffler: Potential energy surface for H₂ dissociation over Pd(100). Physical Review B 53 (8), 4926–4932 (1996).

Yu, B.D. and M. Scheffler: Anisotropy of growth of the close-packed surfaces of silver. Physical Review Letters 77 (6), 1095–1098 (1996).

Berndt, W., D. Weick, C. Stampfl, A.M. Bradshaw and M. Scheffler: Structural analysis of the two c(2x2) phases of Na adsorbed on Al(100). Surface Science 330 (2), 182–192 (1995).

Becker, P., U. Kütgens, J. Stumpel, S. Biernacki and M. Scheffler: The silicon-28 lattice parameter. PTB-Mitteilungen 105, 95–98 (1995).

Burchhardt, J., M.M. Nielsen, D.L. Adams, E. Lundgren, J.N. Andersen, C. Stampfl, M. Scheffler, A. Schmalz, S. Aminpirooz and J. Haase: Formation and structural analysis of a surface alloy: Al(111)-(2 x 2)-Na. Physical Review Letters 74, 1617–1620 (1995).

Finnis, M.W., R. Kaschner, C. Kruse, J. Furthmüller and M. Scheffler: The interaction of a point charge with a metal surface: theory and calculations for (111), (100) and (110) aluminium surfaces. Journal of Physics: Condens. Matter 7, 2001–2019 (1995).