Publications of M. Scheffler
All genres
Journal Article (604)
Journal Article
, J. Bormet and M. Scheffler: Green function for crystal surfaces I. Comput. Phys. Commun. 88, 230–248 (1995).
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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).
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, , , , 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).
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S.W. Biernacki 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).
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J. Bormet, J. Neugebauer and M. Scheffler: Chemical trends and bonding mechanisms for isolated adsorbates on Al(111). Physical Review B 49 (24), 17242–17252 (1994).
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J. Bormet, 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).
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, 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).
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, 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).
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A. Groß, B. Hammer, M. Scheffler and : High-dimensional quantum dynamics of adsorption and desorption of H2 at Cu(111). Physical Review Letters 73 (23), 3121–3124 (1994).
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B. Hammer, M. Scheffler, and : Multidimensional potential energy surface for H2 dissociation over Cu(111). Physical Review Letters 73 (10), 1400–1403 (1994).
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Journal Article
, and M. Scheffler: Ab initio calculation of surface core-level shifts for transition metal surfaces. Surface Science 307-309 (Part B), 933–935 (1994).
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B. Kohler, 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).
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T. Kraft, P.M. Marcus and M. Scheffler: Atomic and magnetic structure of fcc Fe/Cu(100). Physical Review B 49 (16), 11511–11514 (1994).
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J. Neugebauer 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).
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O. Pankratov and M. Scheffler: Surface polarons and bipolarons at GaAs(110) with adsorbed alkali metals. Surface Science 307-309 (Part B), 1001–1006 (1994).
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C. Stampfl, J. Neugebauer and M. Scheffler: Alkali-metal adsorption on Al(111) and Al(100). Surface Science 307-309 (Part A), 8–15 (1994).
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C. Stampfl, 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).
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C. Stampfl 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).
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C. Stampfl, M. Scheffler, H. Over, , , and : 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).