Thermoelectric effects in molecular quantum dots with contacts

T. Koch, J. Loos, H. Fehske

Published 2013-11-25, updated 2014-07-25Version 2

We consider the steady-state thermoelectric transport through a vibrating molecular quantum dot that is contacted to macroscopic leads. For moderate electron-phonon interaction strength and comparable electronic and phononic timescales, we investigate the impact of the formation of a local polaron on the thermoelectric properties of the junction. We apply a variational Lang-Firsov transformation and solve the equations of motion in the Kadanoff-Baym formalism up to second order in the dot-lead coupling parameter. We calculate the thermoelectric current and voltage for finite temperature differences in the resonant and inelastic tunneling regimes. For a near resonant dot level, the formation of a local polaron can boost the thermoelectric effect because of the Franck-Condon blockade. The line shape of the thermoelectric voltage signal becomes asymmetrical due to the varying polaronic character of the dot state and in the nonlinear transport regime, vibrational signatures arise.