Nonlinear thermoelectric transport in single-molecule junctions: the effect of electron-phonon interactions

TL;DR

This paper investigates how electron-phonon interactions influence thermoelectric transport in single-molecule junctions, revealing significant effects on current magnitude, direction, and vibrational signatures beyond linear response.

Contribution

It provides a theoretical analysis of combined Coulomb and electron-phonon interactions affecting thermocurrent in molecular junctions beyond linear response.

Findings

Electron-vibron interactions significantly alter thermocurrent magnitude and direction.

Vibrational signatures can be observed in thermoelectric transport.

Interactions influence transport properties beyond linear response regime.

Abstract

In the present work, we theoretically analyze the steady-state thermoelectric transport through a single-molecule junction with a vibrating bridge. Thermally induced charge current in the system is explored using a nonequilibrium Green's functions formalism. We study combined effects of Coulomb interactions between charge carriers on the bridge and electron-phonon interactions on the thermocurrent beyond the linear response regime. It is shown that electron-vibron interactions may significantly affect both magnitude and direction of the thermocurrent, and vibrational signatures may appear.