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The electronic structure of surfaces with the matching green function method:I. General formalism

Authors
Journal
Surface Science
0039-6028
Publisher
Elsevier
Publication Date
Volume
76
Issue
2
Identifiers
DOI: 10.1016/0039-6028(78)90103-6

Abstract

Abstract The matching Green function method can be used to construct the Green function for a metal with a surface from Green functions for the bulk metal G M and vacuum G 0. The matching procedure is discussed for various forms of boundary joining the metal and vacuum, using Bloch Green functions with fixed wavevector parallel to the surface. The density of states in the surface atomic cell can be found easily, and a formula is derived for the change in total density of states caused by a surface in terms of surface values of G M and G 0. This is applied to the Ni(001) surface, and the behaviour at band edges is examined.

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