Electronic theory of the alloy phase stability of Cu-Ag, Cu-Au, and Ag-Au systems

K. Terakura, T. Oguchi, T. Mohri, K. Watanabe

Research output: Contribution to journalArticlepeer-review

122 Citations (Scopus)

Abstract

It is demonstrated that electronic structure calculations using the local-density approximation with density-functional theory accounts for the distinctly different behaviors in the equilibrium phase diagrams among Cu-Ag, Cu-Au, and Ag-Au alloy systems. A detailed microscopic analysis is made based on the prescription proposed by Connolly and Williams.

Original languageEnglish
Pages (from-to)2169-2173
Number of pages5
JournalPhysical Review B
Volume35
Issue number5
DOIs
Publication statusPublished - 1987

ASJC Scopus subject areas

  • Condensed Matter Physics

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