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Erschienen in:
2010 | OriginalPaper | Buchkapitel
Understanding Long-range Indirect Interactions Between Surface Adsorbed Molecules
verfasst von : W. G. Schmidt, S. Blankenburg, E. Rauls, S. Wippermann, U. Gerstmann, S. Sanna, C. Thierfelder, N. Koch, M. Landmann
Erschienen in: High Performance Computing in Science and Engineering '09
Verlag: Springer Berlin Heidelberg
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Large-scale
first-principles
calculations are used to rationalize the formation of well-separated (∼10 Å) molecular rows of phenylglycine upon co-adsorption of adenine and phenylglycine on Cu(110) [Chen and Richardson, Nature Materials 2, 324 (2003)]. It is found that the molecular adsorption leads to longwave oscillations of the charge density at the Cu(110) surface. The experimentally observed indirect interaction between the molecular rows is mediated by these charge fluctuations. Strain effects, in contrast, are of minor importance.