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Volumn 59, Issue 18, 1999, Pages 11693-11703

First-principles calculations of the vacancy formation energy in transition and noble metals

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EID: 0000150404     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.59.11693     Document Type: Article
Times cited : (280)

References (60)
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    • H.-E. Schaefer, Phys. Status Solidi A 102, 47 (1987).
    • (1987) Phys. Status Solidi A , vol.102 , pp. 47
  • 3
    • 85037912638 scopus 로고    scopus 로고
    • P. Ehrhart, P. Jung, H. Schultz, and H. Ullmaier, in Atomic Defects in Metals, edited by H. Ullmaier, Landolt-Börnstein, New Series, Group III, Vol. 25 (Springer-Verlag, Berlin, 1991).
    • P. Ehrhart, P. Jung, H. Schultz, and H. Ullmaier, in Atomic Defects in Metals, edited by H. Ullmaier, Landolt-Börnstein, New Series, Group III, Vol. 25 (Springer-Verlag, Berlin, 1991).
  • 8
    • 0001531157 scopus 로고
    • Application of Multiple Scattering Theory to Materials Science, No. 253 Materials Research Society W. H. Butler et al.
    • P. H. Dederichs, B. Drittler, and R. Zeller, in Application of Multiple Scattering Theory to Materials Science, edited by W. H. Butler et al., MRS Symposia Proceedings No. 253 (Materials Research Society, Pittsburgh, 1992), p. 185.
    • (1992) MRS Symposia Proceedings , pp. 185
    • Dederichs, P.H.1    Drittler, B.2    Zeller, R.3
  • 35
    • 85037888281 scopus 로고    scopus 로고
    • Here we consider the vacancy formation energy at a fixed volume per site. The thermodynamically consistent definition requires that not only the total volume of the system V but also the number of atoms (Formula presented) be kept fixed. Under these constraints, the partial vacancy formation pressure may be defined as (Formula presented). This pressure is always positive, in contrast to (Formula presented)
    • Here we consider the vacancy formation energy at a fixed volume per site. The thermodynamically consistent definition requires that not only the total volume of the system V but also the number of atoms (Formula presented) be kept fixed. Under these constraints, the partial vacancy formation pressure may be defined as (Formula presented). This pressure is always positive, in contrast to (Formula presented)
  • 53
    • 0004234390 scopus 로고
    • Cambridge University Press, Cambridge J. M. Ziman
    • J. Friedel, in The Physics of Metals, edited by J. M. Ziman (Cambridge University Press, Cambridge, 1969), p. 494.
    • (1969) The Physics of Metals , pp. 494
    • Friedel, J.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.