Publications of Matthias Scheffler

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).

Fiorentini, V., M. Methfessel and M. Scheffler: Surface stress, relaxation and reconstruction in fcc transition metals. Vuoto XXIV, 21–24 (1995).

Fiorentini, V., S. Oppo and M. Scheffler: Towards an understanding of surfactant action on the epitaxial growth of metals: the case of Sb on Ag(111). Applied Physics A 60, 399–402 (1995).

Furthmüller, J., G. Kresse, J. Hafner, R. Stumpf and M. Scheffler: Site-selective adsorption of C atoms on Al(111) surfaces. Physical Review Letters 74 (25), 5084–5087 (1995).

Groß, A., S. Wilke and M. Scheffler: Six-dimensional quantum dynamics of adsorption and desorption of H_2 at Pd(100): Steering and steric effects. Physical Review Letters 75, 2718–2721 (1995).

Hammer, B. and M. Scheffler: Local chemical reactivity of a metal alloy surface. Physical Review Letters 74, 3487–3490 (1995).

Hanbicki, A.T., A.P. Baddorf, E.W. Plummer, B. Hammer and M. Scheffler: The interaction of hydrogen with the (110) surface of NiAl. Surface Science 331-333, 811–817 (1995).