On the Theory of Electronic Structure of Crystal Surfaces Full article
Journal |
Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779 |
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Output data | Year: 1997, Volume: 38, Number: 5, Pages: 689-697 Pages count : 9 DOI: 10.1007/BF02763879 | ||
Tags | Wave Function Energy Band Electronic Structure Calculation Infinite Chain Electron Work Function | ||
Authors |
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Affiliations |
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Funding (2)
1 | Russian Foundation for Basic Research | 96-03-33695 |
2 | The Ministry of Education and Science of the Russian Federation | 95-0-9.1-130 |
Abstract:
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.
Cite:
Tapilin V.M.
On the Theory of Electronic Structure of Crystal Surfaces
Journal of Structural Chemistry. 1997. V.38. N5. P.689-697. DOI: 10.1007/BF02763879 WOS Scopus РИНЦ
On the Theory of Electronic Structure of Crystal Surfaces
Journal of Structural Chemistry. 1997. V.38. N5. P.689-697. DOI: 10.1007/BF02763879 WOS Scopus РИНЦ
ArticleLinkType.TRANSLATED_TO_ORIGINAL:
Тапилин В.М.
К теории электронной структуры поверхности кристаллов
Журнал структурной химии. 1997. Т.38. №5. С.825-833. РИНЦ
К теории электронной структуры поверхности кристаллов
Журнал структурной химии. 1997. Т.38. №5. С.825-833. РИНЦ
Dates:
Submitted: | Jan 15, 1997 |
Published print: | Sep 1, 1997 |
Identifiers:
Web of science | WOS:000073247600001 |
Scopus | 2-s2.0-27344445030 |
Elibrary | 13250208 |
Chemical Abstracts | 1998:273386 |
Chemical Abstracts (print) | 129:19825 |
OpenAlex | W2094524109 |
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