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Volumn 67, Issue 12, 1998, Pages 4110-4116

Magic Numbers of Multivacancy in Crystalline Si: Tight-Binding Studies for the Stability of the Multivacancy

Author keywords

Binding energy; Dangling bonds; Dissociation energy; Formation energy; Lattice relaxation; Multivacancy; Pairing distortion

Indexed keywords


EID: 0032265478     PISSN: 00319015     EISSN: None     Source Type: Journal    
DOI: 10.1143/JPSJ.67.4110     Document Type: Article
Times cited : (23)

References (27)
  • 1
    • 36149019492 scopus 로고
    • G. D. Watkins and J. W. Corbett: Phys. Rev. 138 (1965) A543; G. D. Watkins: Deep Centers in Semiconductors, ed. S. T. Pantelides (Gordon and Breach, New York, 1986) p. 147.
    • (1965) Phys. Rev. , vol.138
    • Watkins, G.D.1    Corbett, J.W.2
  • 2
    • 36149019492 scopus 로고
    • ed. S. T. Pantelides Gordon and Breach, New York
    • G. D. Watkins and J. W. Corbett: Phys. Rev. 138 (1965) A543; G. D. Watkins: Deep Centers in Semiconductors, ed. S. T. Pantelides (Gordon and Breach, New York, 1986) p. 147.
    • (1986) Deep Centers in Semiconductors , pp. 147
    • Watkins, G.D.1
  • 18
    • 1542589203 scopus 로고
    • Cambridge University Press, Cambridge
    • W. M. Press, B. P. Flannery, S. A. Tenkolsky and W. T. Vetterling: Nurnerical Recipes (Cambridge University Press, Cambridge, 1986) p. 301; M. C. Payne, M. P. Teter, D. C. Allen, T. A. Alrias and J. D. Joannopoulos: Rev. Mod. Phys. 64 (1992) 1045.
    • (1986) Nurnerical Recipes , pp. 301
    • Press, W.M.1    Flannery, B.P.2    Tenkolsky, S.A.3    Vetterling, W.T.4
  • 24
    • 85034482946 scopus 로고    scopus 로고
    • note
    • In all calculations Γ point sampling for Brillouin zone integration have been used. We have carried out the geometry optimization until remaining forces acting on atoms become less than 0.002 Ry/Å.
  • 25
    • 85034470049 scopus 로고    scopus 로고
    • note
    • n (n = 20, 24, 28 ∼ 33), which is not stable from the calculations without relaxation, becomes stable due to the large relaxation energy.
  • 26
    • 85034475950 scopus 로고    scopus 로고
    • note
    • We have performed the TBCG calculations for only two in-equivalent configurations. Thus we are unable to eliminate other possible configurations in which the energy gain caused by lattice relaxation overcome the energy cost to generate dangling bonds.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.