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Volumn 93, Issue 12, 2004, Pages

All-electron self-consistent GW approximation: Application to Si, MnO, and NiO

Author keywords

[No Author keywords available]

Indexed keywords

ANTIFERROMAGNETIC MATERIALS; APPROXIMATION THEORY; EIGENVALUES AND EIGENFUNCTIONS; ELECTRIC INSULATORS; ELECTROMAGNETIC WAVE POLARIZATION; GREEN'S FUNCTION; HAMILTONIANS; MANGANESE COMPOUNDS; NICKEL COMPOUNDS;

EID: 19644397290     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.93.126406     Document Type: Article
Times cited : (576)

References (23)
  • 8
    • 85088488760 scopus 로고    scopus 로고
    • note
    • g falls ∼l-2 eV higher in energy. Treating the Ni 3p in an exchange-only approximation and neglecting the 3p-valence hybridization, the gap widens by ∼0.5 eV. Approximating the 3p at the LDA level induces still further errors [2,4].
  • 13
    • 7044263562 scopus 로고    scopus 로고
    • private communication
    • K. Shih (private communication).
    • Shih, K.1
  • 22
    • 7044230229 scopus 로고    scopus 로고
    • note
    • Interestingly, the semiconductors also demonstrate a slight but universal tendency to overestimate the band gaps; see, e.g., Ku's results for Ge [4]. Not surprisingly, the electron-hole pair correlation is rather stronger in a correlated material such as NiO.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.