Interplay of electron-electron and electron-phonon interactions in molecular junctions

Abstract

In this work we consider a current carrying molecular junction with both electron-phonon and electron-electron interactions taken into account. After performing Lang-Firsov transformation and considering Markov approximations in accordance to weak coupling to the electronic leads, we obtain the master equation governing the time evolution of the reduced density matrix of the junction. The steady state of the density matrix can be used to obtain I-V characteristic of the junction in several regimes of strengths of the interactions. Our results indicate that the system can show negative differential conductance (that is, the current decreases by increasing the applied bias voltage) in some regimes as an interplay between the electron-phonon and Coulomb interactions.