Electroluminescence of molecules in a scanning tunneling microscope: Role of tunneling electrons and surface plasmons

Tian, Guangjun; Luo, Yi

doi:10.1103/physrevb.84.205419

Cited by 40 publications

(62 citation statements)

References 28 publications

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“…Especially the results show that the detailed investigation of variation in spectral profiles of interface plasmon due to energy exchange with molecular excitons requires a quantum mechanical treatment of interface plasmons. The theory developed by us is suitable for such studies, compared to previous theories of STM-LE [25,28,29,42,44,45,47]. Moreover, analysis of the luminescence property of the system from the viewpoint of superposition of the coupled modes provides simple description of luminescence spectral profile of the system, which aids in interpretation of the calculation results as well as experimental results.…”

Section: Resultsmentioning

confidence: 88%

“…When a molecule is placed near the tip-substrate gap region, optical processes of molecules and interface plasmons can strongly influence each other. Enhancement of molecular luminescence intensity using intense electromagnetic fields generated by interface plasmons have been investigated in previous theoretical [25][26][27][28][29] and experimental studies [30][31][32][33][34][35] that the dynamics of molecule (e.g. energy absorption and emission of molecules) affect a luminescence spectral profile of interface plasmons [36].…”

Section: Introductionmentioning

confidence: 99%

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Nonequilibrium Green's Function Theory of Scanning Tunneling Microscope-Induced Light Emission from Molecule Covered Metal Surfaces: Effects of Coupling between Exciton and Plasmon Modes

Miwa

Sakaue

Kasai

et al. 2015

e-J. Surf. Sci. Nanotech.

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Light emission from interface plasmons and molecular excitons induced by the tunneling current of a scanning tunneling microscope is theoretically investigated using the nonequilibrium Green's function method. Luminescence property of the system is found to be well interpreted in terms of superposition of two coupled modes that form due to coupling between a molecular excitonic mode and an interface plasmon mode. The coupled mode whose energy is closer to the energy of the molecular excitonic mode (the interface plasmon mode) leads to a sharp (broad) peak structure in luminescence spectra of interface plasmon. Interference between these coupled modes gives rise to suppression or enhancement of luminescence intensity depending on the energy region. Especially, in the energy region near the molecular excitonic mode, the interference leads to strong suppression of luminescence from interface plasmons. Thus novel aspects of interpretation of the luminescence spectra of the system are obtained by using the analytical approach presented here.

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Section: Resultsmentioning

confidence: 88%

Section: Introductionmentioning

confidence: 99%

Nonequilibrium Green's Function Theory of Scanning Tunneling Microscope-Induced Light Emission from Molecule Covered Metal Surfaces: Effects of Coupling between Exciton and Plasmon Modes

Miwa

Sakaue

Kasai

et al. 2015

e-J. Surf. Sci. Nanotech.

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“…Density functional theory (DFT) calculations at the B3LYP/6‐31G* level were performed to obtain the equilibrium geometries and vibrational frequencies of the three systems. The e–v couplings (as represented by the Huang–Rhys (HR) factors), the REs, and the FC factors were then computed based on the DFT results with a model described previously . Two sets of coordinate systems, rectilinear and curvilinear coordinates, as implemented in the Dushin software, were applied in the calculation of the FC factors to avoid the possible problems of rectilinear coordinates when dealing with flexible molecules.…”

Section: Figurementioning

confidence: 99%

Franck–Condon Blockade and Aggregation‐Modulated Conductance in Molecular Devices Using Aggregation‐Induced Emission‐Active Molecules

et al. 2019

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“…The transition rates between a vibrational energy level i in the initial state and a vibrational energy level j in the final state can be written as 28,38,39 R and Γ describe the tunneling rates and the decay processes, respectively.…”

Section: Rate Equationsmentioning

confidence: 99%

The effect of Duschinsky rotation on charge transport properties of molecular junctions in the sequential tunneling regime

Tian

Duan

Zhang

et al. 2015

Phys. Chem. Chem. Phys.

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We present here a systematic theoretical study on the effect of Duschinsky rotation on charge transport properties of molecular junctions in the sequential tunneling regime. In the simulations we assume that only two electronic charging states each coupled to a two dimensional vibrational potential energy surface (PES) are involved in the transport process. The Duschinsky rotation effect is accounted by varying the rotational angle between the two sets of displaced PESs. Both harmonic potential and anharmonic Morse potential have been considered for the cases of the intermediate to strong electron-vibration couplings. Our calculations show that the inclusion of the Duschinsky rotation effect can significantly change the charge transport properties of a molecular junction. Such an effect makes the otherwise symmetric Coulomb diamond become asymmetric in harmonic potentials. Depending on the angle of the rotation, the low bias current could be significantly suppressed or enhanced. This effect is particularly prominent in the Franck-Condon (FC) blockade regime where the electron-vibration coupling is strong. These changes are caused by the variation of the FC factors which are closely related to the rotational angle between the two sets of PESs involved in the charge transport process. For a molecular junction with Morse potentials, the changes caused by Duschinsky rotation are much more complicated. Both the amplitude and shape of the Coulomb diamond are closely dependent on the rotational angle in the whole range from 0 to 2π. One interesting result is that with a rotation angle of π (and also π/2 for certain cases) symmetric Coulomb diamonds can even be formed from the intrinsically asymmetric Morse potential. These results could be important for the interpretation of experimental observations.

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Electroluminescence of molecules in a scanning tunneling microscope: Role of tunneling electrons and surface plasmons

Cited by 40 publications

References 28 publications

Nonequilibrium Green's Function Theory of Scanning Tunneling Microscope-Induced Light Emission from Molecule Covered Metal Surfaces: Effects of Coupling between Exciton and Plasmon Modes

Nonequilibrium Green's Function Theory of Scanning Tunneling Microscope-Induced Light Emission from Molecule Covered Metal Surfaces: Effects of Coupling between Exciton and Plasmon Modes

Franck–Condon Blockade and Aggregation‐Modulated Conductance in Molecular Devices Using Aggregation‐Induced Emission‐Active Molecules

The effect of Duschinsky rotation on charge transport properties of molecular junctions in the sequential tunneling regime

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