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Volumn 67, Issue 16, 2003, Pages

Electromechanical effects in carbon nanotubes: Ab initio and analytical tight-binding calculations

Author keywords

[No Author keywords available]

Indexed keywords

CARBON;

EID: 0043284643     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.67.161401     Document Type: Article
Times cited : (72)

References (28)
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    • R. Saito, G. Dresselhaus, and M. S. Dresselhaus, (Imperial College Press, London, 1998)
    • R. Saito, G. Dresselhaus, and M. S. Dresselhaus, Physical Properties of Carbon Nanotubes (Imperial College Press, London, 1998).
  • 9
    • 0034725863 scopus 로고    scopus 로고
    • L. Forro, Science289, 560 (2000).
    • (2000) Science , vol.289 , pp. 560
    • Forro, L.1
  • 16
    • 0000730460 scopus 로고    scopus 로고
    • We use Troullier-Martins soft pseudopotentials (Ref. and the exchange-correlation energy functional of Perdew, Burke, and Ernzerhof (Ref. The energy cutoff for the Fast Fourier Transform mesh is 300 Ry and we use 1326 points for sampling the 2D BZ of graphene, and 13 points for sampling the 1D BZ of the CNT’s, using the scheme of Monkhorst and Pack (Ref. A double-(formula presented) basis is used. Hexagonal supercells with in-plane parameter of 30 Å are used to separate periodic images, thus minimizing spurious interactions among them, and forces are converged to less than 10 meV/Å. As usual in supercell schemes, a “jellium” with opposite extra charge ensures system neutrality as a whole
    • P. Ordejón, Phys. Rev. B53, R10 441 (1996). We use Troullier-Martins soft pseudopotentials (Ref. 20) and the exchange-correlation energy functional of Perdew, Burke, and Ernzerhof (Ref. 21). The energy cutoff for the Fast Fourier Transform mesh is 300 Ry and we use 1326 points for sampling the 2D BZ of graphene, and 13 points for sampling the 1D BZ of the CNT’s, using the scheme of Monkhorst and Pack (Ref. 22). A double-(formula presented) basis is used. Hexagonal supercells with in-plane parameter of 30 Å are used to separate periodic images, thus minimizing spurious interactions among them, and forces are converged to less than 10 meV/Å. As usual in supercell schemes, a “jellium” with opposite extra charge ensures system neutrality as a whole.
    • (1996) Phys. Rev. B , vol.53 , pp. R10 441
    • Ordejón, P.1
  • 22
    • 85038946754 scopus 로고    scopus 로고
    • Our calculations include full axial and radial relaxation induced by charge injection. We show here only the axial changes, which are the most relevant ones for possible applications of these electromechanical effects. Anisotropies between radial and axial behavior, as previously obtained (Ref. are also present here
    • Our calculations include full axial and radial relaxation induced by charge injection. We show here only the axial changes, which are the most relevant ones for possible applications of these electromechanical effects. Anisotropies between radial and axial behavior, as previously obtained (Ref. 16) are also present here.
  • 23
    • 85038918663 scopus 로고    scopus 로고
    • We consider a range of injected charge, (formula presented) well within the reported experimental values for graphite intercalated compounds., Those can be taken as estimated bounds for charge injection in CNT’s
    • We consider a range of injected charge, (formula presented) well within the reported experimental values for graphite intercalated compounds.14 Those can be taken as estimated bounds for charge injection in CNT’s.
  • 27
    • 0020545605 scopus 로고
    • M. S. Dresselhaus, G. Dresselhaus, J. E. Fischer, and M. J. Moran, Materials Research Society, in, edited by, Pittsburgh, p
    • M. Kertesz, in Intercalated Graphite, edited by M. S. Dresselhaus, G. Dresselhaus, J. E. Fischer, and M. J. Moran, Mater. Res. Soc. Symp. Proc. No. 20 (Materials Research Society, Pittsburgh, 1983), p. 141.
    • (1983) Mater. Res. Soc. Symp. Proc. , vol.20 , pp. 141
    • Kertesz, M.1
  • 28


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.