Transport in molecular wire with long-range Coulomb interactions: a mean-field approach

Abstract

We consider a one-dimensional molecular wire described by long-range Coulomb interactions, attached to two metal electrodes on either side of it. The long-range interactions are approximated using Mataga-Nishimoto potential, and we solve the Hamiltonian in the mean-field limit. Using scattering formalism in the Coulomb blockade regime, we obtain the current-voltage characteristics for this system. We find that the long-range interaction neutralizes the voltage induced localization of the electronic states at off-resonant voltages. Furthermore, the current increases for decreasing interaction strengths for both positive and negative charging. Our mean-field model does not preserve particle-hole symmetry, and as such we find that the hole transport is preferred over the electron transport in this system.