Publications of Matthias Scheffler

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

Bormet, J.; Wenzien, B.; Scheffler, M.: 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), pp. 124 - 142 (1994)

Dabrowski, J.; Pehlke, E.; Scheffler, M.: 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), pp. 2675 - 2677 (1994)

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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