Nonequilibrium transport in molecular junctions with strong electron-phonon interactions

We present a combined theoretical approach to study the nonequilibrium transport properties of nanoscale systems coupled to metallic electrodes and exhibiting strong electron-phonon interactions. We use the Keldysh Green function formalism to generalize beyond linear theory in the applied voltage an equation of motion method and an interpolative self-energy approximation previously developed in equilibrium. We analyze the specific characteristics of inelastic transport appearing in the intensity versus voltage curves and in the conductance, providing qualitative criteria for the sign of the step-like features in the conductance. Excellent overall agreement between both approaches is found for a wide range of parameters.

Interpolative approach for electron-electron and electron-phonon interactions: from the Kondo to the polaronic regime

We present a theoretical approach to determine the electronic properties of nanoscale systems exhibiting strong electron-electron and electron-phonon interactions and coupled to metallic electrodes. This approach is based on an interpolative ansatz for the electronic self-energy which becomes exact both in the limit of weak and strong coupling to the electrodes. The method provides a generalization of previous interpolative schemes which have been applied to the purely electronic case extensively. As a test case we consider the single level Anderson-Holstein model. The results obtained with the interpolative ansatz are in good agreement with existing data from Numerical Renormalization Group calculations. We also check our results by considering the case of the electrodes represented by a few discrete levels which can be diagonalized exactly. The approximation describes properly the transition from the Kondo regime where electron-electron interactions dominate to the polaronic case characterized by a strong electron-phonon interaction.