Inelastic resonant tunneling in C60 molecular junctions

We present an ab initio theory of inelastic electron tunneling spectroscopy along with the theoretical analysis of recent experiments on inelastic transport in molecular tunneling junctions involving C-60 molecule. We present a self-consistent procedure for calculating electron charge density and tunneling current in the presence of the electron-phonon interaction. We find that electron tunneling is significantly influenced by several specific vibrational modes. Inelastic scattering suppresses resonance transmission peak and substantially redshifts the peak position. We investigate the microscopic origin of this behavior by calculating the relevant vibrational modes and resonance wave functions under nonequilibrium transport conditions.