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Physical Review B
Volumn 35, Issue 5, 1987, Pages 2169-2173
Electronic theory of the alloy phase stability of Cu-Ag, Cu-Au, and Ag-Au systems
Author keywords

[No Author keywords available]
Indexed keywords

EID: 0001463330     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.35.2169     Document Type: Article
Times cited : (129)
References (22)
  • 4
    • 84927283957 scopus 로고    scopus 로고
    • R. Kikuchi and D. de Fontaine, Natl. Bur. Stand. (U.S.) Spec. Publ. No. 496, (U.S. GPO, Washington, D.C., 1978), p. 967.
  • 5
    • 84927283956 scopus 로고    scopus 로고
    • D. de Fontaine and R. Kikuchi, Natl. Bur. Stand. (U.S.) Spec. Publ. No. 496, (U.S. GPO, Washington, D.C., 1978), p. 999.
  • 19
    • 84927283954 scopus 로고    scopus 로고
    • The positive value of v0 (a) in Fig. 2 even at its minimum is due to accumulation of some errors in the present calculation. The dominant one in this context is the underestimation of heats of formation particularly for (CuAu)""2. Our underestimation of equilibrium lattice constants, the maximum discrepancy being about 1.5% for Cu, tends to make v0 (a) more positive also, because a smaller lattice constant results in a larger bulk modulus, i.e., the curvature of Δ E (a;i). However, we would like to point out that E0 lcurl ( CuAu )2 rcurl is affected only slightly by this inconvenience: The dominant error mentioned above cancels out to some extent between the two terms on the right-hand side of Eq. (10).
  • 20
    • 84927283953 scopus 로고    scopus 로고
    • For Cu3 Au_, a sudden increase of the lattice constant by about 0.005 A was observed when temperature crosses the critical temperature form below (see Ref. 21). This is related to our result that the lattice constant is larger in the disordered phase than in the ordered one. More-detailed quantitative argument will be given in the forthcoming paper (Ref. 11).

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