Transmission through Peierls distorted one-dimensional atomic wires: quantum coherent electron–phonon coupling

One-dimensional atomic-scale wires are subject to intense research both experimentally and theoretically. Such highly confined electronic systems exhibit strong electron–phonon coupling which would be expected to have an important effect on electron transport in the coherent regime. In this paper, we present an approach to calculate the inelastic effects on the electronic transport through heterojunctions of the type metalrmolecular wirermetal. The electron–phonon coupling inside the molecular wire is explicitly considered on the quantum level. We show that the propagation of a tunneling electron inside the wire induces lattice distortions representative of the formation of a polaron. Such a polaron can also interact with a pre-existing soliton in the wire. The coherent tunneling electron–lattice deformations have non-negligible effects on the transmission properties through the molecular wire. q2000 Elsevier Science B.V. All rights reserved.