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Volumn 75, Issue 17, 1995, Pages 3166-3169

First-principles study of excitonic self-trapping in diamond

Author keywords

[No Author keywords available]

Indexed keywords


EID: 3543057798     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.75.3166     Document Type: Article
Times cited : (71)

References (25)
  • 11
    • 0003451211 scopus 로고
    • Although DFT is a ground-state theory, this approach can also provide a useful approximation to describe excited states, when the effects that cause a finite lifetime of the excited state can be neglected see, e.g., the discussion by, S. Lundqvist, N. M. March, Plenum, New York
    • (1983) Theory of the Inhomogeneous Electron Gas,
    • Williams, A.R.1    von Barth, U.2
  • 14
    • 84927505863 scopus 로고    scopus 로고
    • The number of equal particles that can be accommodated on one bond of the crystal in the same quantum state is limited by the Pauli principle. Thus no more than two holes or/and two electrons with opposite spins can be localized on one bond of a sp3 bonded semiconductor.
  • 17
    • 84927495895 scopus 로고    scopus 로고
    • The effect of the k-point sampling was analysed in Ref. [c3] where similar supercell calculations were performed for a N impurity. It was found that a k-point sampling more accurate than γ point does not change the qualitative physics of the distortion but only affects the quantitative details.
  • 20
    • 84927463864 scopus 로고    scopus 로고
    • We performed a calculation for the N impurity using the same cell and cutoff of the C* calculations.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.