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Volumn 71, Issue 4, 2005, Pages

Poisson-Schrödinger and ab initio modeling of doped Si nanocrystals: Reversal of the charge transfer between host and dopant atoms

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM; HYDROGEN; PHOSPHORUS; SILICON;

EID: 15744365937     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.71.045301     Document Type: Article
Times cited : (6)

References (41)
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  • 12
  • 23
    • 15744405213 scopus 로고    scopus 로고
    • note
    • We employed the GAUSSIAN 98 numerical implementation of density functional theory with the 6-31G(d) basis set and the B3LYP exchange-correlation energy functional.
  • 28
    • 0037098535 scopus 로고    scopus 로고
    • N. Bernstein, M. J. Mehl, D. A. Papaconstantopoulos, N. I. Papanicolaou, M. Z. Bazant, and E. Kaxiras, Phys. Rev. B 62, 4477 (2000); 65, 249902(E) (2002).
    • (2002) Phys. Rev. B , vol.65
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    • note
    • There is an error in Eq. (5) in Ref. 25; the correct expression is given here.
  • 37
    • 36449004558 scopus 로고
    • B. Delley and E. F. Steigmeier, Phys. Rev. B 47, 1397 (1993); Appl. Phys. Lett. 67, 2370 (1995).
    • (1995) Appl. Phys. Lett. , vol.67 , pp. 2370
  • 40
    • 9744272472 scopus 로고    scopus 로고
    • A preliminary study based on an early version of the model has been reported in T. Blomquist and G. Kirszenow, Nano Lett. 4, 2251 (2004).
    • (2004) Nano Lett. , vol.4 , pp. 2251
    • Blomquist, T.1    Kirszenow, G.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.