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.
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收藏
页码：4222 / 4228
页数：7
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