✦ LIBER ✦

Physical approach to chemisorption through Green's function method

✍ Scribed by G. Iadonisi; V. Marigliano Ramaglia; B. Preziosi

Publisher: John Wiley and Sons
Year: 1981
Tongue: English
Weight: 561 KB
Volume: 19
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560190614

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✦ Synopsis

Abstract

For the purpose of illustrating methods for treating the chemisorption problem, which take into account bulk properties of the crystal, it is shown how the single‐particle Green's function may be used to solve the self‐consistent Schrödinger equations for an adatom–substrate system. The absorption problem is then reduced to the solution of a set of integral equations in terms of the infinite crystal Green's function. The method is illustrated using the interaction between an impurity level and surface states in a semiconductor gap and using sp hybridization of an alkali atom on a metal.

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