Publications of M. Scheffler

Pankratov, O. and M. Scheffler: 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 485–488 (1995).

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

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

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

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

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

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

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

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

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).