Publications of Matthias Scheffler

Bormet, J., J. Neugebauer and M. Scheffler: Chemical trends and bonding mechanisms for isolated adsorbates on Al(111). Physical Review B 49 (24), 17242–17252 (1994).

Bormet, J., B. Wenzien and M. Scheffler: A self-consistent surface Green-function (SSGF) method for the calculation of isolated adsorbate atoms on a semi-infinite crystal. Computer Physics Communications 79 (1), 124–142 (1994).

Dabrowski, J., E. Pehlke and M. Scheffler: Relation between the atomic structure and the surface-stress anisotropy: Calculations for the clean Si(001) surface. Journal of Vacuum Science and Technology B 12 (4), 2675–2677 (1994).

Dabrowski, J., E. Pehlke and M. Scheffler: Calculation of the surface stress anisotropy for the buckled Si(001)(1x2) and p(2x2) surfaces. Physical Review B 49 (7), 4790–4793 (1994).

Groß, A., B. Hammer, M. Scheffler and W. Brenig: High-dimensional quantum dynamics of adsorption and desorption of H₂ at Cu(111). Physical Review Letters 73 (23), 3121–3124 (1994).

Hammer, B., M. Scheffler, K.W. Jacobsen and J.K. Norskov: Multidimensional potential energy surface for H₂ dissociation over Cu(111). Physical Review Letters 73 (10), 1400–1403 (1994).

Heinemann, M. and M. Scheffler: Thick sodium overlayers on GaAs(110). Physical Review B 49 (8), 5516–5521 (1994).

Hennig, D., M. Methfessel and M. Scheffler: Ab initio calculation of surface core-level shifts for transition metal surfaces. Surface Science 307-309 (Part B), 933–935 (1994).

Kohler, B., M. Fuchs, K. Freihube and M. Scheffler: Comment on "Local exchange-correlation functional: Numerical test for atoms and ions". Physical Review A 49 (6), 5152–5155 (1994).

Kraft, T., P.M. Marcus and M. Scheffler: Atomic and magnetic structure of fcc Fe/Cu(100). Physical Review B 49 (16), 11511–11514 (1994).

Neugebauer, J. and M. Scheffler: Alkali-metal adsorbates on aluminum (111): The interplay and competition of adsorbate-substrate and adsorbate-adsorbate interactions. Progress in Surface Science 46 (2-3), 295–304 (1994).

Pankratov, O. and M. Scheffler: Surface polarons and bipolarons at GaAs(110) with adsorbed alkali metals. Surface Science 307-309 (Part B), 1001–1006 (1994).

Stampfl, C., J. Neugebauer and M. Scheffler: Alkali-metal adsorption on Al(111) and Al(100). Surface Science 307-309 (Part A), 8–15 (1994).

Stampfl, C., J. Neugebauer and M. Scheffler: Theoretical evidence for unusual bonding geometry and phase transitions of Na on Al(001). Surface Review and Letters 1 (2-3), 213–219 (1994).

Stampfl, C. and M. Scheffler: Theoretical identification of a (2 x 2) composite double layer ordered surface alloy of Na on Al(111). Surface Science 319 (1-2), L23–L28 (1994).

Stampfl, C., M. Scheffler, H. Over, J. Burchhardt, M. Nielsen, D.D. Adams and W. Moritz: LEED structural analysis of Al(111)-K(√3 x √3)R30°: Identification of stable and metastable adsorption sites. Physical Review B 49 (7), 4959–4972 (1994).

Stumpf, R. and M. Scheffler: Mechanisms of self-diffusion on flat and stepped Al surfaces. Surface Science 307-309 (Part A), 501–506 (1994).

Stumpf, R. and M. Scheffler: Simultaneous calculation of the equilibrium atomic structure and its electronic ground state using density-functional theory. Computer Physics Communications 79 (3), 447–465 (1994).

Stumpf, R. and M. Scheffler: Theory of self-diffusion at and growth of Al(111). Physical Review Letters 72 and 73, 254 and 508–257 and 508 (1994).

Wilke, S., D. Hennig, R. Löber, M. Methfessel and M. Scheffler: Ab-initio study of hydrogen adsorption on Pd(100). Surface Science 307-309, 76–81 (1994).