Publications of Matthias Scheffler

Tomanek, D.; Wilke, S.; Scheffler, M.: Hydrogen-induced polymorphism of the Pd(110) surface. Physical Review Letters 79 (7), pp. 1329 - 1332 (1997)

Yu, B. D.; Scheffler, M.: Ab initio study of step formation and self-diffusion on Ag(100). Physical Review B 55 (20), pp. 13916 - 13924 (1997)

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

Cho, J.-H.; Scheffler, M.: Ab initio pseudopotential study of Fe, Co, and Ni employing the spin-polarized LAPW approach. Physical Review B 53 (16), pp. 10685 - 10689 (1996)

Groß, A.; Scheffler, M.: Influence of molecular vibrations on dissociative adsorption. Chemical Physics Letters 256 (4-5), pp. 417 - 423 (1996)

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

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

Groß, A.; Wilke, S.; Scheffler, M.: 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, pp. 614 - 618 (1996)

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

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

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

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

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

Petersen, M.; Wilke, S.; Ruggerone, P.; Kohler, B.; Scheffler, M.: 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), pp. 995 - 998 (1996)

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

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

Stumpf, R.; Scheffler, M.: 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), pp. 4958 - 4973 (1996)

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

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

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