SELF-CONSISTENT GREENS-FUNCTION METHOD FOR RANDOM OVERLAYERS

被引：49

作者：

KUDRNOVSKY, J

TUREK, I

DRCHAL, V

WEINBERGER, P

CHRISTENSEN, NE

BOSE, SK

机构：

[1] CZECHOSLOVAK ACAD SCI, INST PHYS MET, CS-61662 BRNO, CZECHOSLOVAKIA

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

[3] AARHUS UNIV, INST PHYS, DK-8000 AARHUS, DENMARK

[4] BROCK UNIV, DEPT PHYS, ST CATHARINES L2S 3A1, ONTARIO, CANADA

来源：

PHYSICAL REVIEW B | 1992年 / 46卷 / 07期

关键词：

D O I：

10.1103/PhysRevB.46.4222

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A tight-binding version of the linear-muffin-tin-orbital method is used to describe the electronic structure Of random overlayers on a perfect substrate in a self-consistent manner within the local-density approximation. The true semi-infinite nature of the system is incorporated via the surface-Green's-function approach. A generalization of the coherent-potential-approximation method to treat inhomogeneous alloys is used to study the effect of disorder. The formalism is applied to evaluate the layer-projected densities of states and work functions of random Ag-Pd overlayers on a fcc Ag(001) substrate.

引用

页码：4222 / 4228

页数：7

共 31 条

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