First principles calculation of thermodynamic properties of noble-metal alloys

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

Research output: Contribution to journalArticle

40 Citations (Scopus)

Abstract

The electronic structure calculation is incorporated in the cluster-variation method, and thermodynamic properties of disorder phase of noble-metal alloys are studied. For Cu-Au and Ag-Au systems, the heats of formation are estimated as functions of concentration, and the influence of short range order on the lattice constant is quantitatively discussed at Cu3Au stoichiometry. For Ag-Cu system, phase diagram is obtained based on the same model.

Original languageEnglish
Pages (from-to)547-553
Number of pages7
JournalActa Metallurgica
Volume36
Issue number3
DOIs
Publication statusPublished - 1988 Mar

ASJC Scopus subject areas

  • Engineering(all)

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