Phonon effects on the current noise spectra and the ac conductance of a single molecular junction.

By using nonequilibrium Green's functions and the equation of motion method, we formulate a self-consistent field theory for the electron transport through a single-molecule junction (SMJ) coupled with a vibrational mode. We show that the nonequilibrium dynamics of the phonons in a strong electron–phonon coupling regime can be taken into account appropriately in this self-consistent perturbation theory, and the self-energy of the phonons is connected with the current fluctuations in the molecular junction. We calculate the finite-frequency nonsymmetrized noise spectra and the ac conductance, which reveal a wealth of inelastic electron tunneling characteristics on the absorption and emission properties of this SMJ. In the presence of a finite bias voltage and the electron tunneling current, the vibration mode of the molecular junction is heated and driven to an unequilibrated state. The influences of unequilibrated phonons on the current and the noise spectra are investigated.