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A rate equation formalism is used to determine the effect of electron-phonon coupling on the conductance of a molecule. Interplay between the phonon-induced renormalization of the density of states on the quantum dot and the phonon-induced renormalization of the dot-lead coupling is found to be important. Whether or not the phonons are able to equilibrate in a time rapid compared to the transit time of an electron through the dot is found to affect the conductance. Observable signatures of phonon equilibration are presented.
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We present a comprehensive theoretical treatment of the effect of electron-phonon interactions in molecular transistors, including both quantal and classical limits and we study both equilibrated and out of equilibrium phonons. We present detailed results for conductance, noise and phonon distribution in two regimes. One involves temperatures large as compared to the rate of electronic transitions on and off the dot; in this limit our approach yields classical rate equations, which are solved numerically for a wide range of parameters. The other regime is that of low temperatures and weak electron-phonon coupling where a perturbative approximation in the Keldysh formulation can be applied. The interplay between the phonon-induced renormalization of the density of states on the quantum dot and the phonon-induced renormalization of the dot-lead coupling is found to be important. Whether or not the phonons are able to equilibrate in a time rapid compared to the transit time of an electron through the dot is found to affect the conductance. Observable signatures of phonon equilibration are presented. We also discuss the nature of the low-T to high-T crossover.
The electrostatic gating effects on molecular transistors are investigated using the density functional theory (DFT) combined with the nonequilibrium Greens function (NEGF) method. When molecular energy levels are away from the Fermi energy they can be linearly shifted by the gate voltage, which is consistent with recent experimental observations [Nature 462, 1039 (2009)]. However, when they move near to the Fermi energy (turn-on process), the shifts become extremely small and almost independent of the gate voltage. The fact that the conductance may be beyond the gate control in the ON state will challenge the implementation of molecular transistors.
We observe a series of sharp resonant features in the differential conductance of graphene-hexagonal boron nitride-graphene tunnel transistors over a wide range of bias voltages between $sim$10 and 200 mV. We attribute them to electron tunneling assisted by the emission of phonons of well-defined energy. The bias voltages at which they occur are insensitive to the applied gate voltage and hence independent of the carrier densities in the graphene electrodes, so plasmonic effects can be ruled out. The phonon energies corresponding to the resonances are compared with the lattice dispersion curves of graphene-boron nitride heterostructures and are close to peaks in the single phonon density of states.
Josephson transport through a single molecule or carbon nanotube is considered in the presence of a local vibrational mode coupled to the electronic charge. The ground-state solution is obtained exactly in the limit of a large superconducting gap, and is extended to the general case by variational analysis. Coherent charge fluctuations are entangled with non-classical phonon states. The Josephson current induces squeezing of the phonon mode, which is controlled by the superconducting phase difference and by the junction asymmetry. Optical probes of non-classical phonon states are briefly discussed.
Electronic transport in a carbon nanotube (CNT) metal-oxide-semiconductor field effect transistor (MOSFET) is simulated using the non-equilibrium Greens functions method with the account of electron-phonon scattering. For MOSFETs, ambipolar conduction is explained via phonon-assisted band-to-band (Landau-Zener) tunneling. In comparison to the ballistic case, we show that the phonon scattering shifts the onset of ambipolar conduction to more positive gate voltage (thereby increasing the off current). It is found that the subthreshold swing in ambipolar conduction can be made as steep as 40mV/decade despite the effect of phonon scattering.
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