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The Electronic Structure of a Hydrogen Impurity in Aluminium I. The Jellium Model
Author(s) -
Craig B. I.,
Smith P. V.
Publication year - 1982
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221130241
Subject(s) - jellium , impurity , proton , aluminium , symmetry (geometry) , wave function , crystal (programming language) , yield (engineering) , function (biology) , electronic structure , hydrogen , interpretation (philosophy) , metal , atomic physics , condensed matter physics , physics , molecular physics , chemistry , quantum mechanics , mathematics , computer science , geometry , thermodynamics , organic chemistry , evolutionary biology , biology , programming language
All attempts to calculate the electronic structure of a proton in a metal have involved the approximation of spherical symmetry. One possible way of including the effects of the crystal field into such calculations is to extend the Gree 2 2+ s function method of Gunnarsson and Hjelmberg to treat the non spherical nature of the induced charge density. The aim of the present paper is therefore to establish that this basic approach can yield reliable results for the proton—jellium system and hence provide a means of studying the real metal impurity problem. The actual application of this Gree 2+ 2 s function technique to a proton interstitial impurity in aluminium is then presented in a forthcoming paper.