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Volumn 6, Issue 8, 2006, Pages 1812-1816

Raman spectroscopy of single-wall boron nitride nanotubes

Author keywords

[No Author keywords available]

Indexed keywords

INTERLAYER INTERACTION; RAMAN EXCITATION;

EID: 33747450303     PISSN: 15306984     EISSN: None     Source Type: Journal    
DOI: 10.1021/nl0602544     Document Type: Article
Times cited : (311)

References (32)
  • 6
    • 84858945833 scopus 로고    scopus 로고
    • Ph.D. Thesis Université Paris XI, Orsay
    • Arenal, R. Ph.D. Thesis Université Paris XI, Orsay, 2005.
    • (2005)
    • Arenal, R.1
  • 28
    • 33748294542 scopus 로고    scopus 로고
    • note
    • 28 Core electrons are replaced by Troullier-Martins pseudopotentials, and the valence electron wave functions are expanded in plane waves with an energy cutoff at 40 hartrees.
  • 30
    • 33748326104 scopus 로고    scopus 로고
    • note
    • A similar scaling was also found in ref 11.
  • 31
    • 33748321157 scopus 로고    scopus 로고
    • note
    • 2 bonded materials is usually underestimated by density-functional theory. The interaction contains two components: the first stems from the weak overlap of orbitals of neighboring sheets and is well described within DFT. The second contribution is due to van der Waals interaction and is completely neglected in the LDA (and equally poorly described by most other common exchange-correlation functionals). Proper inclusion of van der Waals effects would probably increase further the difference between sheet and bulk frequencies.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.