Incoherent Electron − Phonon Scattering in Octanethiols

  title={Incoherent Electron − Phonon Scattering in Octanethiols},
  author={A. Pecchia and Aldo Di Carlo and Alessio Gagliardi and S. Sanna and Thomas Frauenheim}
We investigate the influence of molecular vibrations on the tunneling of electrons through an octane −thiolate sandwiched between two gold contacts. The coherent and incoherent tunneling currents are computed using the non-equilibrium Green’s functions formalism. Both the system Hamiltonian and the electron −phonon interaction are obtained from first… CONTINUE READING