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Volumn 41, Issue 12, 1990, Pages 8127-8138

Structural energy-volume relations in first-row transition metals

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Indexed keywords


EID: 0000186109     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.41.8127     Document Type: Article
Times cited : (195)

References (80)
  • 4
    • 84927303166 scopus 로고    scopus 로고
    • W. M. C. Foulkes, Ph.D. thesis, University of Cambridge, 1987.
  • 57
    • 84927303162 scopus 로고    scopus 로고
    • Overestimation of K0 is a consequence of the underestimation of atomic volume. The error is lessened if K0 is calculated at the experimental atomic volume. This paper is primarily concerned with models for transition metals which may be applied, for example, in moleuclar-dynamics calculations; therefore is appropriate to discuss equilibrium features of the model rather than to obtain the best agreement with experiment.
  • 67
    • 84927303161 scopus 로고    scopus 로고
    • and references therein.
  • 75
    • 84927303160 scopus 로고    scopus 로고
    • In Si the bandwidth scales like 1/d2 so that the Slater-Koster parameters must have the same length dependence. Unfortunately these are not short-ranged, as they are in metals. On the other hand, short-ranged tight-binding parameters do not benefit from this cancellation and require an explicit volume-dependent correction (see Refs. 40, 41, and 55).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.