Green's-Function Formalism Suitable for Studying Chemisorption on Real Semi-Infinite Systems Full article
Journal |
Physical Review B: Condensed Matter (1978-1997)
ISSN: 0163-1829 |
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Output data | Year: 1978, Volume: 18, Number: 6, Pages: 2656-2665 Pages count : 10 DOI: 10.1103/PhysRevB.18.2656 | ||||
Authors |
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Affiliations |
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Funding (3)
1 | National Science Foundation | CHE74-09019 |
2 | Alfred P. Sloan Foundation | |
3 | Camille and Henry Dreyfus Foundation |
Abstract:
A new formalism for obtaining the Green's functions suitable for studying the surface properties and chemisorption properties of real crystals is presented. The method has a number of calculational advantages which make it possible to examine the problem of chemisorption on the surface of crystals which are represented by realistic and complex band structures. The method is illustrated by applying it first to a linear monatomic chain, second to a simple cubic s-band crystal, and third to a two-band fcc crystal. The first two well-known examples are presented to verify the method. The last example has not been considered before and shows the importance of including in the model calculation all of the crystal bands, even those not involved directly in the chemisorption bond.
Cite:
Tapilin V.M.
, Cunningham S.L.
, Weinberg W.H.
Green's-Function Formalism Suitable for Studying Chemisorption on Real Semi-Infinite Systems
Physical Review B: Condensed Matter (1978-1997). 1978. V.18. N6. P.2656-2665. DOI: 10.1103/PhysRevB.18.2656 WOS Scopus РИНЦ
Green's-Function Formalism Suitable for Studying Chemisorption on Real Semi-Infinite Systems
Physical Review B: Condensed Matter (1978-1997). 1978. V.18. N6. P.2656-2665. DOI: 10.1103/PhysRevB.18.2656 WOS Scopus РИНЦ
Dates:
Submitted: | Feb 7, 1977 |
Published print: | Sep 15, 1978 |
Published online: | Sep 15, 1978 |
Identifiers:
Web of science | WOS:A1978FU98100031 |
Scopus | 2-s2.0-24444441382 |
Elibrary | 31100526 |
Chemical Abstracts | 1979:12716 |
Chemical Abstracts (print) | 90:12716 |
OpenAlex | W2056714720 |