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Volumn 64, Issue 11, 2001, Pages

Fullerene-based molecular nanobridges: A first-principles study

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM; CARBON; FULLERENE DERIVATIVE;

EID: 0035884107     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.64.115411     Document Type: Article
Times cited : (167)

References (30)
  • 1
    • 0032606344 scopus 로고    scopus 로고
    • For a nice review on nanotubes, see C. Dekker, Phys. Today 52(5), 22 (1999).
    • (1999) Phys. Today , vol.52 , pp. 22
    • Dekker, C.1
  • 12
    • 85038965203 scopus 로고    scopus 로고
    • cond-mat/0102300 (unpublished)
    • A. Nitzan, cond-mat/0102300 (unpublished).
    • Nitzan, A.1
  • 14
    • 0003409205 scopus 로고
    • H. Ahmed M. Pepper A. Broers Cambridge University Press, Cambridge, England
    • S. Datta, in Electronic Transport in Mesoscopic Systems, edited by H. Ahmed, M. Pepper, and A. Broers (Cambridge University Press, Cambridge, England, 1995).
    • (1995) Electronic Transport in Mesoscopic Systems
    • Datta, S.1
  • 20
    • 85038889615 scopus 로고    scopus 로고
    • GAUSSIAN98, Gaussian Inc., Pittsburgh, PA, 1998
    • GAUSSIAN98, Gaussian Inc., Pittsburgh, PA, 1998.
  • 25
    • 85038965516 scopus 로고    scopus 로고
    • The nearest-neighbor hopping elements of the tight-binding model for the Bethe lattice can be obtained in multiple ways. We have chosen here to extract them from a DF calculation of a dimer at the bulk nearest-neighbor distance of the considered electrode. The diagonal elements are shifted at will to reproduce the desired Fermi level
    • The nearest-neighbor hopping elements of the tight-binding model for the Bethe lattice can be obtained in multiple ways. We have chosen here to extract them from a DF calculation of a dimer at the bulk nearest-neighbor distance of the considered electrode. The diagonal elements are shifted at will to reproduce the desired Fermi level.
  • 27
    • 85038906406 scopus 로고    scopus 로고
    • There is no need to restrict the calculations to a minimal basis set since the Bethe lattice can be constructed for any basis set. It is only a matter of computational convenience that we have done it so. Nevertheless, in some cases, we have checked that better basis sets do not modify the main conclusions of our work
    • There is no need to restrict the calculations to a minimal basis set since the Bethe lattice can be constructed for any basis set. It is only a matter of computational convenience that we have done it so. Nevertheless, in some cases, we have checked that better basis sets do not modify the main conclusions of our work.
  • 28
    • 85038956448 scopus 로고    scopus 로고
    • A structural relaxation is expected to occur, but this is not relevant to show the reliability of the method
    • A structural relaxation is expected to occur, but this is not relevant to show the reliability of the method.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.