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Volumn 14, Issue 13, 2013, Pages 3108-3111

Stability of pristine and defective snte surfaces from first principles

Author keywords

computational chemistry; density functional calculations; tellurides; tin; vacancies

Indexed keywords


EID: 84884292046     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.201300265     Document Type: Article
Times cited : (29)

References (43)
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    • 79960250996 scopus 로고    scopus 로고
    • et al.
    • G. Wang, et al., Adv. Mater. 2011, 23, 2929-2932
    • (2011) Adv. Mater. , vol.23 , pp. 2929-2932
    • Wang, G.1
  • 10
  • 17
    • 34548644181 scopus 로고    scopus 로고
    • The suitability-and limits-of the PBE functional for the present study is discussed in the Supporting Information; in that context, see also:, F. Finocchi, J. Goniakowski, Surf. Sci. 2007, 601, 4144-4148
    • (2007) Surf. Sci. , vol.601 , pp. 4144-4148
    • Finocchi, F.1    Goniakowski, J.2
  • 18
    • 34347343976 scopus 로고    scopus 로고
    • In particular, it must be kept in mind that the band gap of semiconductors is noticeably underestimated by PBE computations (computed for SnTe: 0.05 eV); see Supporting Information. This issue has been discussed, e.g., in, K. Hummer, A. Grüneis, G. Kresse, Phys. Rev. B 2007, 75, 195211.
    • (2007) Phys. Rev. B , vol.75 , pp. 195211
    • Hummer, K.1    Grüneis, A.2    Kresse, G.3
  • 31
  • 33
  • 43


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.