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Volumn 40, Issue 5, 1989, Pages 3197-3231

First-principles calculation of alloy phase diagrams: The renormalized-interaction approach

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0001092370     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.40.3197     Document Type: Article
Times cited : (245)

References (161)
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    • 0003689862 scopus 로고
    • edited by, J. L. Murray, L. H. Bennett, H. Barker, American Society for Metals, Metals Park, OH
    • (1986) Binary Alloy Phase Diagrams
  • 3
    • 84927322603 scopus 로고    scopus 로고
    • Crystal and Solid State Physics, Vol. III/6 of Landolt-Börnstein, Numerical Data and Functional Relationships in Science and Technology, edited by P. Eckerlin and H. Kandler (Springer-Verlag, Berlin, 1971).
  • 18
    • 84927322595 scopus 로고    scopus 로고
    • A recent review of results of total and structural energy calculation is given in Electronic Structure, Dynamics, and Quantum Structural Properties of Condensed Matter, edited by J. T. Devreese and D. Van Camp (Plenum, New York, 1985).
  • 20
    • 84927322593 scopus 로고    scopus 로고
    • Landolt-Börnstein, Numerical Data and Functional Relationships in Science and Technology, edited by O. Madelung, M. Schulz, and H. Weiss (Springer-Verlag, Berlin, 1982), Vol. 17a,b.
  • 39
    • 84927322591 scopus 로고    scopus 로고
    • H. R. Jen, M. J. Cherng, M. J. Jou, and G. B. Stringfellow, GaAs and Related Compounds 1986, Inst. Phys. Conf. Ser. 83, edited by W. T. Lindley (IOP, Bristol, 1987), p. 159;
  • 51
    • 84927322590 scopus 로고    scopus 로고
    • C. Domb, in Phase Transition and Critical Phenomena, edited by C. Domb and H. S. Green (Academic, London, 1974), Vol. 3, p. 357; D. M. Burley, ibid., Vol. 2, p. 329.
  • 54
    • 84927322589 scopus 로고    scopus 로고
    • Equations (1.9) follow from the orthogonality of the products Πf, sumσ Πf(lf, σ ) Π f prime (lfsprime, σ ) =2Nδ f,fprime δ lf,lfsprime . If (f,lf) does not coincide with (f prime ,lfsprime) there are unpaired spin variables S hati in the left-hand side of the above equation. The orthogonality results from summing over all the spin variables S hati (1 and \(mi1). See Ref. 40 for details.
  • 76
    • 84927322587 scopus 로고    scopus 로고
    • These authors suggested incorrectly that the neglect of explicit volume dependence of the interaction energies is legitimate for systems satisfying Vegard's rule. Reference 26 shows that this is not so.
  • 98
    • 0000647793 scopus 로고
    • A. E. Carlson has shown [, ] how many-atom interactions within nearest neighbors (m=1) can be renormalized into effective pair potentials, not treating, however, interactions beyond nearest neighbors.
    • (1987) Phys. Rev. B , vol.35 , pp. 4858
  • 116
    • 0022882853 scopus 로고
    • edited by, T. B. Massalski, W. B. Pearson, L. H. Bennett, Y. A. Chang, Metallurgical Society, Warrendale, PA
    • (1986) Noble Metal Alloys , pp. 63
    • Kikuchi, R.1
  • 117
    • 84927322585 scopus 로고    scopus 로고
    • See A. G. Khachaturyan, Theory of Structural Thermodynamics in Solids (Wiley, New York, 1983).
  • 133
    • 84927322583 scopus 로고    scopus 로고
    • For the fitting we used the calculated data curlep barn (V¯(x) ) at Xn-0.125
  • 152
    • 84927322575 scopus 로고    scopus 로고
    • (d) in Proceedings of the 18th International Conference on Semiconductor Physics, Stockholm, edited by O. Engström (World Scientific, Singapore, 1987), p. 1225.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.