메뉴 건너뛰기




Volumn 81, Issue 20, 2010, Pages

Electroluminescence spectra in weakly coupled single-molecule junctions

Author keywords

[No Author keywords available]

Indexed keywords


EID: 77955730449     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.81.205430     Document Type: Article
Times cited : (30)

References (43)
  • 8
    • 0037462546 scopus 로고    scopus 로고
    • 10.1126/science.1078675
    • X. H. Qiu, G. V. Nazin, and W. Ho, Science 299, 542 (2003). 10.1126/science.1078675
    • (2003) Science , vol.299 , pp. 542
    • Qiu, X.H.1    Nazin, G.V.2    Ho, W.3
  • 11
    • 44349083076 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.77.205430
    • S. W. Wu, G. V. Nazin, and W. Ho, Phys. Rev. B 77, 205430 (2008). 10.1103/PhysRevB.77.205430
    • (2008) Phys. Rev. B , vol.77 , pp. 205430
    • Wu, S.W.1    Nazin, G.V.2    Ho, W.3
  • 14
    • 0037116225 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.66.245306
    • J. Buker and G. Kirczenow, Phys. Rev. B 66, 245306 (2002). 10.1103/PhysRevB.66.245306
    • (2002) Phys. Rev. B , vol.66 , pp. 245306
    • Buker, J.1    Kirczenow, G.2
  • 15
    • 0031037501 scopus 로고    scopus 로고
    • 10.1126/science.275.5303.1102
    • S. Nie and S. R. Emory, Science 275, 1102 (1997). 10.1126/science.275. 5303.1102
    • (1997) Science , vol.275 , pp. 1102
    • Nie, S.1    Emory, S.R.2
  • 16
    • 29744465481 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.72.205338
    • J. Buker and G. Kirczenow, Phys. Rev. B 72, 205338 (2005). 10.1103/PhysRevB.72.205338
    • (2005) Phys. Rev. B , vol.72 , pp. 205338
    • Buker, J.1    Kirczenow, G.2
  • 17
    • 52949153618 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.78.125107
    • J. Buker and G. Kirczenow, Phys. Rev. B 78, 125107 (2008). 10.1103/PhysRevB.78.125107
    • (2008) Phys. Rev. B , vol.78 , pp. 125107
    • Buker, J.1    Kirczenow, G.2
  • 18
    • 77955757122 scopus 로고    scopus 로고
    • Technically speaking, the thick solid lines represent transitions between different many-electron states. However, in a noninteracting single-electron picture, the lines indeed correspond to different molecular orbitals.
    • Technically speaking, the thick solid lines represent transitions between different many-electron states. However, in a noninteracting single-electron picture, the lines indeed correspond to different molecular orbitals.
  • 19
    • 0001504284 scopus 로고
    • 10.1103/PhysRevB.44.1646
    • C. W. J. Beenakker, Phys. Rev. B 44, 1646 (1991). 10.1103/PhysRevB.44. 1646
    • (1991) Phys. Rev. B , vol.44 , pp. 1646
    • Beenakker, C.W.J.1
  • 20
  • 23
    • 0346598275 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.68.205324
    • S. Braig and K. Flensberg, Phys. Rev. B 68, 205324 (2003). 10.1103/PhysRevB.68.205324
    • (2003) Phys. Rev. B , vol.68 , pp. 205324
    • Braig, S.1    Flensberg, K.2
  • 29
    • 77955757853 scopus 로고    scopus 로고
    • Assuming a symmetric distribution of the bias voltage over the leads, the bias voltage coupling of the molecule is given by α= 1 2 CS - CD CS + CD, where CS and CD are the capacitances to the source and drain electrode, respectively.
    • Assuming a symmetric distribution of the bias voltage over the leads, the bias voltage coupling of the molecule is given by α = 1 2 C S - C D C S + C D, where C S and C D are the capacitances to the source and drain electrode, respectively.
  • 30
    • 0000726572 scopus 로고    scopus 로고
    • 10.1002/(SICI)1097-461X(2000)77:1<383::AID-QUA38>3.0.CO;2-0
    • P. T. Ruhoff and M. A. Ratner, Int. J. Quantum Chem. 77, 383 (2000). 10.1002/(SICI)1097-461X(2000)77:1<383::AID-QUA38>3.0.CO;2-0
    • (2000) Int. J. Quantum Chem. , vol.77 , pp. 383
    • Ruhoff, P.T.1    Ratner, M.A.2
  • 32
    • 77955741226 scopus 로고    scopus 로고
    • All quantum chemistry calculations have been performed with the AMSTERDAM DENSITY-FUNCTIONAL package, (Refs.) using the local-density approximation exchange-correlation potential and the analytical-second-derivatives module for the vibrational modes (Ref.). A triple- ζ doubly polarized basis set has been used for the ligands and the central ion, whereas a double- ζ singly polarized basis was used for the rest of the molecule.
    • All quantum chemistry calculations have been performed with the AMSTERDAM DENSITY-FUNCTIONAL package, (Refs.) using the local-density approximation exchange-correlation potential and the analytical-second-derivatives module for the vibrational modes (Ref.). A triple- ζ doubly polarized basis set has been used for the ligands and the central ion, whereas a double- ζ singly polarized basis was used for the rest of the molecule.
  • 33
    • 19744364370 scopus 로고    scopus 로고
    • 10.1103/PhysRevLett.93.196806
    • X. H. Qiu, G. V. Nazin, and W. Ho, Phys. Rev. Lett. 93, 196806 (2004). 10.1103/PhysRevLett.93.196806
    • (2004) Phys. Rev. Lett. , vol.93 , pp. 196806
    • Qiu, X.H.1    Nazin, G.V.2    Ho, W.3
  • 34
    • 77955748689 scopus 로고    scopus 로고
    • ) 2 (Ref.), where n is the number of vibrational modes (213 in the case of ZnEtioI and 516 in the case of H2 TBPP) and l is the number of vibrational quanta. Memory constraints limit the number of vibrational quanta that can currently be taken into account to at most 2. This is enough to produce all the peaks in the spectra but the omission of the vast number of low-intensity higher-order transitions causes the lower-energy part of the spectrum to be under-represented.
    • ) 2 (Ref.), where n is the number of vibrational modes (213 in the case of ZnEtioI and 516 in the case of H 2 TBPP) and l is the number of vibrational quanta. Memory constraints limit the number of vibrational quanta that can currently be taken into account to at most 2. This is enough to produce all the peaks in the spectra but the omission of the vast number of low-intensity higher-order transitions causes the lower-energy part of the spectrum to be under-represented.
  • 35
    • 77955744890 scopus 로고    scopus 로고
    • The dimensionless electron-phonon coupling of vibrational mode i is defined to be λi = ki √ ωi 2 (Refs.), where ki is the mass-weighted contribution of the mode to the displacement of the nuclei due to the transition and ωi is the frequency.
    • The dimensionless electron-phonon coupling of vibrational mode i is defined to be λ i = k i √ ω i 2 (Refs.), where k i is the mass-weighted contribution of the mode to the displacement of the nuclei due to the transition and ω i is the frequency.
  • 37
    • 77955738985 scopus 로고    scopus 로고
    • (Ref.) also observe electroluminescence at bias voltages below the photon energy. This is most likely due to higher order processes, which are not taken into account in the rate-equation formalism (Ref.).
    • Dong (Ref.) also observe electroluminescence at bias voltages below the photon energy. This is most likely due to higher order processes, which are not taken into account in the rate-equation formalism (Ref.).
    • Dong1
  • 38
    • 77955737926 scopus 로고    scopus 로고
    • The current dependence of the electroluminescence of H2 TBPP in a different experiment is reported in Ref.. This measurement shows a linear current dependence at positive bias. For negative bias voltages, no current dependence is shown.
    • The current dependence of the electroluminescence of H 2 TBPP in a different experiment is reported in Ref.. This measurement shows a linear current dependence at positive bias. For negative bias voltages, no current dependence is shown.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.