Electronic theory of the alloy phase stability of Cu-Ag, Cu-Au, and Ag-Au systems
- 15 February 1987
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 35 (5) , 2169-2173
- https://doi.org/10.1103/physrevb.35.2169
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.Keywords
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