RELATIVISTIC ELECTRONIC-STRUCTURE OF RANDOM ALLOYS AND THEIR SURFACES BY LINEAR BAND-STRUCTURE METHODS

被引：22

作者：

DRCHAL, V ^{[1
]}

KUDRNOVSKY, J ^{[1
]}

WEINBERGER, P ^{[1
]}

机构：

[1] VIENNA TECH UNIV, INST TECH ELECTROCHEM, A-1060 VIENNA, AUSTRIA

来源：

PHYSICAL REVIEW B | 1994年 / 50卷 / 11期

关键词：

D O I：

10.1103/PhysRevB.50.7903

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

An efficient Green's-function method is developed to calculate electronic and ground-state properties of heavy-elements containing random alloys and their surfaces. Based on the local-density approximation, the all-electron fully relativistic linear-muffin-tin-orbital method in the tight-binding representation is used to describe disorder within the coherent-potential approximation and the semi-infinite geometry of surfaces. As a first application the electronic and ground-state properties of a random fcc-Cu75Au25 alloy and its (001) surface are evaluated.

引用

页码：7903 / 7914

页数：12

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