Publications of M. Scheffler

Pankratov, O.; Scheffler, M.: Formation of localized excitons and the breaking of chemical bonds at III-V (110) surfaces. Proc. of the 22nd International Conference on the Physics of Semiconductors, pp. 485 - 488 (1995)

Pankratov, O.; Scheffler, M.: Localized excitons and breaking of chemical bonds at III-V (110) surfaces. Physical Review Letters 75, pp. 701 - 704 (1995)

Pehlke, E.; Scheffler, M.: Hydrogen adsorption on and desorption from Si(001). Proc. of the 22nd International Conference on the Physics of Semiconductors, pp. 549 - 552 (1995)

Pehlke, E.; Scheffler, M.: Theory of adsorption and desorption of H_2/Si(001). Physical Review Letters 74, pp. 952 - 955 (1995)

Stampfl, C.; Scheffler, M.: Theory of alkali metal adsorption on close-packed metal surfaces. Surface Review and Letters 2, pp. 317 - 343 (1995)

Wenzien, B.; Bormet, J.; Scheffler, M.: Green function for crystal surfaces I. Comput. Phys. Commun. 88, pp. 230 - 248 (1995)

Wilke, S.; Scheffler, M.: Poisoning of Pd(100) for the dissociation of H_2: a theoretical study of co-adsorption of hydrogen and sulphur. Surface Science 329, pp. L605 - L610 (1995)

Andersen, J. N.; Hennig, D.; Lundgren, E.; Methfessel, M.; Nyholm, R.; Scheffler, M.: Surface core-level shifts of some 4d-metal single-crystal surfaces: Experiments and ab-initio calculations. Physical Review B 50 (23), pp. 17525 - 17533 (1994)

Biernacki, S. W.; Scheffler, M.: The influence of the isotopic composition on the thermal expansion of crystalline Si. Journal of Physics: Condensed Matter 6 (26), pp. 4879 - 4884 (1994)

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)