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Hierarchical quantum master equation approach to electronic-vibrational coupling in nonequilibrium transport through nanosystems: Reservoir formulation and application to vibrational instabilities by Schinabeck, C.; Härtle, R.; Thoss, M. is a scholarly article available to read on EtoBox.

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We present a novel hierarchical quantum master equation (HQME) approach which provides a numerically exact description of nonequilibrium charge transport in nanosystems with electronic-vibrational coupling. In contrast to previous work [Phys. Rev. B $\bf{94}$, 201407 (2016)], the active vibrational degrees of freedom are treated in the reservoir subspace and are integrated out. This facilitates applications to systems with very high excitation levels, for example due to current-induced heating, while properties of the vibrational degrees of freedom, such as the excitation level and other moments of the vibrational distribution function, are still accessible. The method is applied to a generic model of a nanosystem, which comprises a single electronic level that is coupled to fermionic leads and a vibrational degree of freedom. Converged results are obtained in a broad spectrum of parameters, ranging from the nonadiabatic to the adiabatic transport regime. We specifically investigate the phenomenon of vibrational instability, that is, the increase of current-induced vibrational excitation for decreasing electronic-vibrational coupling. The novel HQME approach allows us to analyze th

Author

Schinabeck, C.; Härtle, R.; Thoss, M.

Published

2018

Language

EN