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Volumn 57, Issue 8, 1998, Pages 4332-4348

First-principles theory of short-range order in size-mismatched metal alloys: Cu-Au, Cu-Ag, and Ni-Au

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EID: 0000298943     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.57.4332     Document Type: Article
Times cited : (121)

References (71)
  • 17
  • 33
    • 85037904174 scopus 로고    scopus 로고
    • J. C. Zhao (private communication).
    • Zhao, J.1
  • 40
  • 49
    • 0026136721 scopus 로고
    • Mohri et al. used LDA calculations based on the atomic-sphere approximation, neglected atomic relaxations in their calculations, had interactions of only nearest-neighbor range, and found (Formula presented)-point SRO peaks. (With nearest-neighbor interactions only, it is impossible to reproduce the fine structure of the observed peak splitting about the (Formula presented) point.) As we demonstrate in Sec. VII, the neglect of relaxation in any of the systems studied here (Cu-Au, Ni-Au, or Cu-Ag) is likely to produce (Formula presented)-point SRO
    • T. Mohri, K. Terakura, S. Takizawa, and J. M. Sanchez, Acta Metall. 39, 493 (1991); Mohri et al. used LDA calculations based on the atomic-sphere approximation, neglected atomic relaxations in their calculations, had interactions of only nearest-neighbor range, and found (Formula presented)-point SRO peaks. (With nearest-neighbor interactions only, it is impossible to reproduce the fine structure of the observed peak splitting about the (Formula presented) point.) As we demonstrate in Sec. VII, the neglect of relaxation in any of the systems studied here (Cu-Au, Ni-Au, or Cu-Ag) is likely to produce (Formula presented)-point SRO.
    • (1991) Acta Metall. , vol.39 , pp. 493
    • Mohri, T.1    Terakura, K.2    Takizawa, S.3    Sanchez, J.4
  • 50
    • 0003666902 scopus 로고
    • Phase Diagrams of Binary Copper Alloys, edited by P. R. Subramanian, D. J. Chakrabarti, and D. E. Laughlin (ASM International, Materials Park, OH, 1994).
    • (1994) Phase Diagrams of Binary Copper Alloys


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.