Publications of Matthias Scheffler
All genres
Journal Article (604)
Journal Article
B.D. Yu and M. Scheffler: Ab initio study of step formation and self-diffusion on Ag(100). Physical Review B 55 (20), 13916–13924 (1997).
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B.D. Yu and M. Scheffler: Physical origin of exchange diffusion on fcc(100) metal surfaces. Physical Review B 56, R15569–R15572 (1997).
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J.-H. Cho and M. Scheffler: Ab initio pseudopotential study of Fe, Co, and Ni employing the spin-polarized LAPW approach. Physical Review B 53 (16), 10685–10689 (1996).
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A. Groß and M. Scheffler: Influence of molecular vibrations on dissociative adsorption. Chemical Physics Letters 256 (4-5), 417–423 (1996).
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A. Groß 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).
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A. Groß and M. Scheffler: Gross and Scheffler Reply. Physical Review Letters 77 (2), 405–405 (1996).
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A. Groß, 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).
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, 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).
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B. Kohler, 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).
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B. Kohler, P. Ruggerone, M. Scheffler and : Enhanced electron-phonon coupling at the Mo and W(110) surfaces induced by adsorbed hydrogen. Zeitschrift für Physikalische Chemie 197, 193–202 (1996).
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B. Kohler, S. Wilke, M. Scheffler, and : Force calculation and atomic-structure optimization for the full-potential linearized augmented plane-wave code WIEN. Computer Physics Communications 94 (1), 31–48 (1996).
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N. Moll, A. Kley, E. Pehlke and M. Scheffler: GaAs equilibrium crystal shape from first-principles. Physical Review B 54 (12), 8844–8855 (1996).
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M. Petersen, 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).
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C. Stampfl and M. Scheffler: Theoretical study of O adlayers on Ru(0001). Physical Review B 54 (4), 2868–2872 (1996).
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C. Stampfl, 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).
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R. Stumpf 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).
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, and M. Scheffler: Local isoelectronic reactivity of solid surfaces. Physical Review Letters 77 (8), 1560–1564 (1996).
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S. Wilke and M. Scheffler: Mechanism of poisoning the catalytic activity of Pd(100) by a sulfur adlayer. Physical Review Letters 76 (18), 3380–3383 (1996).
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S. Wilke and M. Scheffler: Potential energy surface for H2 dissociation over Pd(100). Physical Review B 53 (8), 4926–4932 (1996).
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B.D. Yu and M. Scheffler: Anisotropy of growth of the close-packed surfaces of silver. Physical Review Letters 77 (6), 1095–1098 (1996).