Regensburg 2019 – scientific programme

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TT: Fachverband Tiefe Temperaturen

TT 64: Poster Session: Transport

TT 64.8: Poster

Thursday, April 4, 2019, 15:00–18:30, Poster D

Quantum Transport through Single-molecule Junctions: Non-adiabatic Effects — •Christoph Kaspar, Christian Schinabeck, and Michael Thoss — Albert-Ludwigs-Universität, Freiburg, Germany

The coupling of electronic and nuclear degrees of freedom is an important mechanism in non-equilibrium charge transport in molecular junctions and may result in a variety of interesting phenomena such as decoherence, switching and local cooling or heating [1]. While the effect of adiabatic polaron-type coupling has been studied in great detail, new phenomena are expected for non-adiabatic coupling scenarios which correspond to a breakdown of the Born-Oppenheimer approximation. In this contribution, we present results of a model study of non-adiabatic effects employing the hierarchical quantum master equation approach [2,3]. This method generalizes perturbative master equation methods by including higher-order contributions as well as non-Markovian memory and allows for the systematic convergence of results. In particular, we observe a quantum transport behavior strongly influenced by the interaction with the vibrational modes.
[1] Härtle et al., Phys. Rev. B 98, 081404 (2018)
[2] Jin et al., J. Chem. Phys. 128, 234703 (2008)
[3] Schinabeck et al., Phys. Rev. B 94, 201407R (2016)