Electron transport through molecules: The role of coherent excitations, vibrational modes,
Coulomb interaction, noise-induced dynamics, shot noise, charge and heat transfer

Prof. Dr. Dr. Peter Hänggi, Universität Augsburg [Homepage]

PD Dr. Sigmund Kohler, Instituto de Ciencia de Materiales de Madrid [Homepage]

The field of molecular electronics deals with the electron transport through electrode-moleculeelectrode
settings and its possible technological applications. Within this proposal, we will investigate
charge and heat transport through molecular wires focussing on current noise, energy
transfer, and heating phenomena, and the influence of time-dependent fields and gate voltages.
In particular, we plan to explore the influence of Coulomb interaction, coupling to vibrational
degrees of freedom, and stochastic fields on charge and heat transfer. As a working model
for the molecule, a tight-binding Hamiltonian is employed which includes interactions with
metallic leads, with vibrational degrees of freedom, with electrons, and with external fields as
well. Thereby, we will contribute to both theoretical understanding of experimental observations
and the prediction of novel phenomena. Moreover, our calculations will serve for testing
the approximations on which the far more complex ab-initio methods are based on.