The mathematics of the polymorphous coherent potential approximation

J. S. Faulkner, B. Újfalussy, Nassrin Moghadam, G. M. Stocks, Yang Wang

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

The original coherent potential approximation (CPA) used for calculating the electronic states in substitutional solid-solution alloys contains the implicit assumption that the alloy is isomorphous. That is, all of the atoms of a given chemical type are assumed to be identical. The extension of the CPA philosophy to treat an alloy model in which all of the atoms are allowed to have distinct charges and potentials is called the polymorphous CPA (PCPA). This extension requires some interesting changes in the mathematical formalism that is used to develop the CPA equations. Aspects of the mathematical formalism of the PCPA will be discussed. In particular, the ergodic theorem from measure theory will be invoked to justify the new equations for the average Green's function.

Original languageEnglish
Pages (from-to)8573-8585
Number of pages13
JournalJournal of Physics Condensed Matter
Volume13
Issue number38
DOIs
Publication statusPublished - Sep 24 2001

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mathematics
approximation
Atoms
Electronic states
Green's function
Solid solutions
formalism
atoms
solid solutions
Green's functions
theorems
electronics

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials

Cite this

The mathematics of the polymorphous coherent potential approximation. / Faulkner, J. S.; Újfalussy, B.; Moghadam, Nassrin; Stocks, G. M.; Wang, Yang.

In: Journal of Physics Condensed Matter, Vol. 13, No. 38, 24.09.2001, p. 8573-8585.

Research output: Contribution to journalArticle

Faulkner, J. S. ; Újfalussy, B. ; Moghadam, Nassrin ; Stocks, G. M. ; Wang, Yang. / The mathematics of the polymorphous coherent potential approximation. In: Journal of Physics Condensed Matter. 2001 ; Vol. 13, No. 38. pp. 8573-8585.
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