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arXiv · 1712.00638

Time-dependent framework for energy and charge currents in nanoscale systems

Thomas Lehmann·Alexander Croy·Rafael Gutiérrez·Gianaurelio Cuniberti
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Abstract

The calculation of time-dependent charge and energy currents in nanoscale systems is a challenging task. Nevertheless it is crucial for gaining a deep understanding of the relevant processes at the nanoscale. We extend the auxiliary-mode approach for time-dependent charge transport to allow for the calculation of energy currents for arbitrary time-dependencies. We apply the approach to two illustrative examples, a single-level system and a benzene ring, demonstrating its usefulness for a wide-range of problems beyond simple toy models, such as molecular devices.

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Thomas Lehmann, Alexander Croy, Rafael Gutiérrez, Gianaurelio Cuniberti. 2018-01-18. Time-dependent framework for energy and charge currents in nanoscale systems. https://doi.org/10.1016/j.chemphys.2018.01.011

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