Mechanisms for electron transport in atomic-scale one-dimensional wires: soliton and polaron effects

Abstract

We study one-electron tunneling through atomic-scale one-dimensional wires in the presence of coherent electron-phonon (e-ph) coupling. We use a full quantum model for the e-ph interaction within the wire with open boundary conditions. We illustrate the mechanisms of transport in the context of molecular wires subject to boundary conditions imposing the presence of a soliton defect in the molecule. Competition between polarons and solitons in the coherent transport is examined. The transport mechanisms proposed are generally applicable to other one-dimensional nanoscale systems with strong e-ph coupling.