Scattering theory of thermocurrent in quantum dots and molecules

TL;DR

This paper develops a theoretical framework combining scattering matrix and nonequilibrium Green's functions to analyze thermocurrent in quantum dots and molecules, considering Coulomb interactions and thermal environments, with implications for heat-to-electric energy conversion.

Contribution

It introduces a combined scattering and Green's function formalism to study thermocurrent in quantum systems with interactions and thermal baths, advancing understanding of energy conversion mechanisms.

Findings

System can be optimized for heat-to-electric conversion by tuning bias and gate voltages.

Coulomb interactions significantly influence thermocurrent behavior.

Thermal environment impacts electron transmission and energy conversion efficiency.

Abstract

In this work we theoretically study properties of electric current driven by a temperature gradient through a quantum dot/molecule coupled to the source and drain charge reservoirs. We analyze the effect of Coulomb interactions between electrons on the dot/molecule and of thermal environment on the thermocurrent. The environment is simulated by two thermal baths associated with the reservoirs and kept at different temperatures. The scattering matrix formalism is employed to compute electron transmission through the system. This approach is further developed and combined with nonequilibrium Green's functions formalism, so that scattering probabilities are expressed in terms of relevant energies including the thermal energy, strengths of coupling between the dot/molecule and charge reservoirs and characteristic energies of electron-phonon interactions. It is shown that one may bring the considered system into regime favorable for heat-to-electric energy conversion by varying the applied bias and gate voltages.