Self-consistent treatment of short-range order in substitutionally disordered alloys

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Abstract

We present a method which allows the self-consistent treatment of short-range order in the construction of the single-particle Greens function for substitutionally disordered alloys. In this method, the electronic self-energy is determined through the condition that the scattering off the center of a cluster of atoms vanishes upon averaging over all cluster configurations. While this method leads to an effective medium which is only slightly more accurate than that obtained in the single-site coherent potential approximation, it provides by contrast quite an appropriate medium to be used in conjunction with the embedded cluster method (ECM). Comparison with the results of exact numerical simulations shows that an application of the ECM to rather small clusters leads to accurate representations of the density of states of nonrandom substitutionally disordered alloys. Several possible applications of the method are discussed.

Original languageEnglish
Pages (from-to)2506-2507
Number of pages2
JournalPhysical Review B
Volume31
Issue number4
DOIs
Publication statusPublished - 1985

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Green's function
Scattering
Atoms
Computer simulation
Green's functions
configurations
approximation
scattering
electronics
atoms
simulation
energy

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Self-consistent treatment of short-range order in substitutionally disordered alloys. / Gonis, A.; Freeman, Arthur J.

In: Physical Review B, Vol. 31, No. 4, 1985, p. 2506-2507.

Research output: Contribution to journalArticle

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