Electronic structure of disordered alloy described with a reduced set of configurations

Roland Riedinger*, Hugues Dreyssé, Gerd Ceder, Chris Wolverton, Didier de Fontaine

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

1 Scopus citations

Abstract

The electronic structure of a disordered alloy is described by a real-space tight-binding calculation in a configurational averaging scheme. Using appropriate starting vector for the recursion method, it is found that the new approach presented here improves substantially ( by a factor five to ten ) previous methods and allows a realistic determination of quantities for the phase diagrams computation related to the electronic structure.

Original languageEnglish (US)
Pages (from-to)489-492
Number of pages4
JournalSolid State Communications
Volume80
Issue number7
DOIs
StatePublished - Nov 1991

ASJC Scopus subject areas

  • Chemistry(all)
  • Condensed Matter Physics
  • Materials Chemistry

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