On the theory of electronic structure of crystal surfaces

Electron wave functions are calculated for a system of two onedimensional atomic chains to illustrate the application of the modified tight binding equation method. A transfer of the local density of electronic states (LDES) from terminal to internal atoms of the chains, the effect of the emergence...

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Veröffentlicht in:Journal of structural chemistry 1997-09, Vol.38 (5), p.689-697
1. Verfasser: Tapilin, V. M.
Format: Artikel
Sprache:eng
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Zusammenfassung:Electron wave functions are calculated for a system of two onedimensional atomic chains to illustrate the application of the modified tight binding equation method. A transfer of the local density of electronic states (LDES) from terminal to internal atoms of the chains, the effect of the emergence of the local state on LDES, and the variation of occupancy as a function of energy depending on the position of the atom relative to the end of the chain are discussed. In the limiting case of noninteracting chains, changes in LDES due to adsorption of the atom on the chain are considered.
ISSN:0022-4766
1573-8779
DOI:10.1007/BF02763879