Understanding Long-range Indirect Interactions Between Surface Adsorbed Molecules

W. G. Schmidt, S. Blankenburg, E. Rauls, S. Wippermann, U. Gerstmann, S. Sanna, C. Thierfelder, N. Koch and M. Landmann
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W. G. Schmidt: Universität Paderborn, Lehrstuhl für Theoretische Physik

A chapter in High Performance Computing in Science and Engineering '09, 2010, pp 75-84 from Springer

Abstract: Abstract 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.

Keywords: Adsorption Energy; Structural Relaxation; Indirect Interaction; Dime Chain; Fermi Wave Vector (search for similar items in EconPapers)
Date: 2010
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DOI: 10.1007/978-3-642-04665-0_6

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