Electron-phonon scattering in molecular wires

Abstract

In the present work, we investigate the influence of molecular vibrations on the tunneling of electrons through a molecular wire, sandwiched in between two gold contacts. The molecular vibrations are treated quantum-mechanically and an electron-phonon coupling is derived starting from a DFT-based Hamiltonian expressed on local orbitals. The electron-phonon… (More)

Topics

4 Figures and Tables

Slides referencing similar topics