Analytic properties and accuracy of the generalized Blackman-Esterling-Berk coherent-potential approximation

被引:47
作者
Koepernik, K [1 ]
Velicky, B
Hayn, R
Eschrig, H
机构
[1] MPI Phys Complex Syst, D-01887 Dresden, Germany
[2] Charles Univ, Prague, Czech Republic
[3] TU Dresden, MPG Res Grp Electron Syst, Dept Phys, D-01062 Dresden, Germany
来源
PHYSICAL REVIEW B | 1998年 / 58卷 / 11期
关键词
D O I
10.1103/PhysRevB.58.6944
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The Blackman-Esterling-Berk (BEB) theory, generalized to nonorthogonal basis sets and complicated elementary cells [K. Koepernik, B. Velicky, R Hayn, and H. Eschrig, Phys. Rev. B 55, 5717 (1997)], is inspected in great detail with respect to its analytic properties and numerical accuracy. We give a proof of the single impurity limit fulfilled by BEB theory, thus clarifying some critical points in the derivation of the theory. We undertake extensive numerical tests for the BEB coherent-potential approximation (CPA) to check the range of applicability of the included single-site approximation. The BEB CPA turns out to give good results in a wide range of energy parameters.
引用
收藏
页码:6944 / 6962
页数:19
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