메뉴 건너뛰기




Volumn 248, Issue 4, 2011, Pages 790-798

Accurate gap levels and their role in the reliability of other calculated defect properties

Author keywords

Band gap; Defects; Density functional theory; Hybrid functionals

Indexed keywords


EID: 78651323829     PISSN: 03701972     EISSN: 15213951     Source Type: Journal    
DOI: 10.1002/pssb.201046210     Document Type: Article
Times cited : (48)

References (50)
  • 17
    • 79953034767 scopus 로고    scopus 로고
    • In fact, the total width of the bands is always underestimated. E.g., the indirect band gap in silicon is underestimated by only 0.5eV, but the direct transition at Γ from the VBM to the second subband in the CB by 1.0eV, indicating a "compressed" CB. The width of the VB is also too small by 6%.
    • In fact, the total width of the bands is always underestimated. E.g., the indirect band gap in silicon is underestimated by only 0.5eV, but the direct transition at Γ from the VBM to the second subband in the CB by 1.0eV, indicating a "compressed" CB. The width of the VB is also too small by 6%.
  • 20
    • 0029321534 scopus 로고
    • Mater. Sci. Eng. R, in:, edited by P. Siffert and E. Krimmel (Springer-Verlag, Berlin, 2004), p. 261.
    • S. K. Estreicher, Mater. Sci. Eng. R 14, 319 (1995); C. A. J. Ammerlaan, in: Silicon. Evolution and Future of a Technology, Vol. 217, edited by P. Siffert and E. Krimmel (Springer-Verlag, Berlin, 2004), p. 261.
    • (1995) Silicon. Evolution and Future of a Technology , vol.14-217 , pp. 319
    • Estreicher, S.K.1    Ammerlaan, C.A.J.2
  • 21
    • 79953043481 scopus 로고    scopus 로고
    • This can be seen in the almost as high a sum of overlaps with the CB states (0.72) as at the BC site (0.87).
    • This can be seen in the almost as high a sum of overlaps with the CB states (0.72) as at the BC site (0.87).
  • 47
    • 79953033983 scopus 로고
    • Semiconductors. Group IV Elements and II-V Compounds
    • O. Madelung, ed.), Springer, Berlin
    • O. Madelung, (ed.), Semiconductors. Group IV Elements and II-V Compounds, Data in Science and Technology (Springer, Berlin, 1991).
    • (1991) Data in Science and Technology


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.