A variational approach to cluster approximations in the theory of electronic structure of disordered alloys

S. V. Beiden; N. E. Zein; G. D. Samolyuk

doi:10.1088/0953-8984/3/48/007

A variational approach to cluster approximations in the theory of electronic structure of disordered alloys

S. V. Beiden, N. E. Zein, G. D. Samolyuk

Russian Research Centre Kurchatov Institute

Research output: Contribution to journal › Article › peer-review

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Abstract

Cluster generalization of the CPA method, based on the variational calculation of the alloy thermodynamic potential, is considered. Various possible choices of the variational parameters are discussed. One of them leads to an approximation that is analogous to the Bethe approximation for the Ising model. The technique developed is applied to the calculation of the density of states in the Ni_1-cCu_c alloy by the LMTO-ASA method.

Original language	English
Article number	007
Pages (from-to)	9651-9665
Number of pages	15
Journal	Journal of Physics Condensed Matter
Volume	3
Issue number	48
DOIs	https://doi.org/10.1088/0953-8984/3/48/007
State	Published - 1991
Externally published	Yes

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title = "A variational approach to cluster approximations in the theory of electronic structure of disordered alloys",

abstract = "Cluster generalization of the CPA method, based on the variational calculation of the alloy thermodynamic potential, is considered. Various possible choices of the variational parameters are discussed. One of them leads to an approximation that is analogous to the Bethe approximation for the Ising model. The technique developed is applied to the calculation of the density of states in the Ni1-cCuc alloy by the LMTO-ASA method.",

author = "Beiden, {S. V.} and Zein, {N. E.} and Samolyuk, {G. D.}",

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AU - Zein, N. E.

AU - Samolyuk, G. D.

PY - 1991

Y1 - 1991

N2 - Cluster generalization of the CPA method, based on the variational calculation of the alloy thermodynamic potential, is considered. Various possible choices of the variational parameters are discussed. One of them leads to an approximation that is analogous to the Bethe approximation for the Ising model. The technique developed is applied to the calculation of the density of states in the Ni1-cCuc alloy by the LMTO-ASA method.

AB - Cluster generalization of the CPA method, based on the variational calculation of the alloy thermodynamic potential, is considered. Various possible choices of the variational parameters are discussed. One of them leads to an approximation that is analogous to the Bethe approximation for the Ising model. The technique developed is applied to the calculation of the density of states in the Ni1-cCuc alloy by the LMTO-ASA method.

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DO - 10.1088/0953-8984/3/48/007

M3 - Article

AN - SCOPUS:36149029840

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JO - Journal of Physics Condensed Matter

JF - Journal of Physics Condensed Matter

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M1 - 007

ER -

A variational approach to cluster approximations in the theory of electronic structure of disordered alloys

Abstract

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