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Volumn 9, Issue 8, 2009, Pages 2996-3000

Current versus temperature-induced switching in a single-molecule tunnel junction: 1,5 cyclooctadiene on si(001)

Author keywords

[No Author keywords available]

Indexed keywords

CROSSOVER BEHAVIOR; HIGHER TEMPERATURES; INELASTIC ELECTRON TUNNELING; LOW-TEMPERATURE SCANNING TUNNELING MICROSCOPY; QUANTUM CHEMICAL; QUANTUM DYNAMICAL CALCULATIONS; SI(0 0 1); SI(001) SURFACES; SINGLE-MOLECULE; TEMPERATURE-INDUCED; THERMALLY ACTIVATED;

EID: 68949171917     PISSN: 15306984     EISSN: None     Source Type: Journal    
DOI: 10.1021/nl901419g     Document Type: Article
Times cited : (28)

References (39)
  • 2
  • 29
    • 68949189991 scopus 로고    scopus 로고
    • Frisch, M. J. et al. Gaussian 03, rev. B.05; Gaussian, Inc.: Wallingford, CT, 2004.
    • Frisch, M. J. et al. Gaussian 03, rev. B.05; Gaussian, Inc.: Wallingford, CT, 2004.
  • 36
    • 68949177610 scopus 로고    scopus 로고
    • 0.
    • 0.
  • 37
    • 68949189990 scopus 로고    scopus 로고
    • The perturbative expression for the resonance rates according to ref 20 is Wres n→m=(I e, n|V e(φ, Vg(φ)|m, 2, Δ2, pΓ/2)2, where Vg is the ground state potential along the reaction coordinate, Ve is the resonance state potential, Γ is the resonance width, and Δ the biasshifted excitation energy ΔE, that is, Δ) ΔE, eU. The Ve are obtained from Koopmans' theorem by attaching an electron to the LUMO (electron attachment, or removing an electron from the HOMO (hole attachment) of the cluster used above.20 With the choice Δ) 8 eV, 1/Γ) 1 fs and τvib) 1 ps, inclusion of the resonance rates leads at T) 0 K to a switching rate that is by about 5 (electron attachment) or 8 (hole attachment) time
    • vib) 1 ps, inclusion of the resonance rates leads at T) 0 K to a switching rate that is by about 5 (electron attachment) or 8 (hole attachment) times larger than in the pure dipole case.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.