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Volumn 64, Issue 19, 2001, Pages

Ab initio determination of the atomistic structure of (formula presented) alloy

Author keywords

[No Author keywords available]

Indexed keywords


EID: 84924349448     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.64.193202     Document Type: Article
Times cited : (4)

References (31)
  • 2
    • 85038921966 scopus 로고    scopus 로고
    • See, for example, Semicond. Semimet., (1999) and references therein
    • See, for example, Germanium Silicon: Physics and Materials, Semicond. Semimet. 56 (1999) and references therein.
  • 17
    • 0001535393 scopus 로고
    • Cai and Thorpe defined (formula presented) in a way that is different (but equivalent) from Eq. (1). In particular in their model (formula presented) does not depend on the type of the bond.]
    • Y. Cai and M F. Thorpe, Phys. Rev. B46, 15 872 (1992). [Cai and Thorpe defined (formula presented) in a way that is different (but equivalent) from Eq. (1). In particular in their model (formula presented) does not depend on the type of the bond.]
    • (1992) Phys. Rev. B , vol.46 , pp. 15 872
    • Cai, Y.1    Thorpe, M.F.2
  • 20
    • 85038945558 scopus 로고    scopus 로고
    • To determine the theoretical (experimental) value of (formula presented) we take the corresponding calculated (measured) bulk lattice parameters
    • To determine the theoretical (experimental) value of (formula presented) we take the corresponding calculated (measured) bulk lattice parameters.
  • 23
    • 85038897812 scopus 로고    scopus 로고
    • We estimate the error in the calculated deviation from linearity due to incomplete convergence with respect to the cutoff energy (formula presented) as being (formula presented)
    • We estimate the error in the calculated deviation from linearity due to incomplete convergence with respect to the cutoff energy (formula presented) as being (formula presented).
  • 31
    • 85038897954 scopus 로고    scopus 로고
    • We estimate the error in the calculated topological rigidity parameter due to incomplete convergence with respect to the cutoff energy (formula presented) as being 0.02
    • We estimate the error in the calculated topological rigidity parameter due to incomplete convergence with respect to the cutoff energy (formula presented) as being 0.02.


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