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TT: Fachverband Tiefe Temperaturen

TT 16: Poster: Transport

TT 16.4: Poster

Monday, March 27, 2023, 15:00–18:00, P2/OG4

Analyzing vibrational instabilities arising from non-conservative current-induced forces in nanosystems with a semi-classical approach — •Robin L. Grether, Samuel Rudge, and Michael Thoss — Physikalisches Institut, Albert-Ludwigs-Universität Freiburg, Deutschland

Understanding the electric properties of nanosystems such as molecular junctions is a crucial task for modern physics. For molecular junctions, these properties are often governed by an electronic-vibrational coupling, which can lead to an instability of the junction in some cases.

We provide an in-depth analysis of the vibrational instabilities caused by non-conservative current-induced forces in a molecular junction using a semi-classical approach that exploits the time-scale separation between the fast electronic dynamics and the much slower vibrational dynamics. In particular, we use a Born-Markov master equation for the electronic degrees of freedom in combination with a semi-classical Langevin equation for the vibrational dynamics [1]. Within this framework, we study the dynamics of a junction composed of two electronic levels and two harmonic vibrational modes [2] for various parameters.

[1] W. Dou et al., J. Chem. Phys. 145, 054102 (2016)

[2] J.-T. Lü et al., Phys. Rev. B 85, 245444 (2012)