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Volumn 86, Issue 7, 1999, Pages 3758-3767

Theory of phase stabilities and bonding mechanisms in stoichiometric and substoichiometric molybdenum carbide

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0001582119     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.371284     Document Type: Article
Times cited : (110)

References (34)
  • 1
    • 0003720648 scopus 로고
    • Wiley, New York
    • For an introductory text on the nomenclature of close-packed planes of atoms, we refer to U. Müller, Inorganic Structural Chemistry (Wiley, New York, 1993).
    • (1993) Inorganic Structural Chemistry
    • Müller, U.1
  • 21
    • 85034545586 scopus 로고    scopus 로고
    • unpublished
    • J. M. Wills (unpublished).
    • Wills, J.M.1
  • 24
    • 85034539792 scopus 로고    scopus 로고
    • note
    • In the calculations for the three WC phases, we only relaxed the structures in the a lattice parameter. Since we did not relax the γ and γ′ phases for variation of c/a we will have an error in the equilibrium energy on the order of, from prior experience, a few mRy.
  • 25
    • 85034553448 scopus 로고    scopus 로고
    • note
    • 3 and is, as is expected, larger than the volume calculated using LDA.
  • 26
    • 85034558994 scopus 로고    scopus 로고
    • note
    • For comparison, we quote the bulk moduli of other hard materials; Diamond: 451.6 GPa, BN (cubic): 393 GPa. These values are taken from calculations made by U. Lundin using the same methods as we have (private communication).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.