Regensburg 2019 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 24: Molecular Electronics and Photonics

TT 24.5: Vortrag

Dienstag, 2. April 2019, 10:30–10:45, H22

Molecular junctions and molecular motors: Inclusion of electron-electron interactions in the electronic friction — •Miroslav Hopjan^1,2, Gianluca Stefanucci^3,4, Enrico Perfetto^3,5, and Claudio Verdozzi² — ¹current: Condensed Matter Theory, Friedrich-Hund-Platz 1, 37077 Göttingen, Germany — ²Department of Physics, Lund University, S-22100 Lund, Sweden — ³Dipartimento di Fisica, Università di Roma Tor Vergata, Via della Ricerca Scientifica 1, I-00133 Rome, Italy — ⁴INFN, Sezione di Roma Tor Vergata, Via della Ricerca Scientifica 1, I-00133 Roma, Italy — ⁵CNR-ISM, Division of Ultrafast Processes in Materials (FLASHit), Area della Ricerca di Roma 1, Via Salaria Km 29.3, I-00016 Monterotondo Scalo, Italy

A semi-classical Ehrenfest (or Langevin) dynamics of current-induced forces in molecular junctions with electron-electron interactions will be presented. For the regime of slow nuclear dynamics we derive a general formula of the Markovian electronic friction, described within the one-particle non-equilibrium Green's function formalism. The proposed framework is approximations-free but at the same time it enables the direct use of many-body perturbation theory to include the interactions, thus it is suitable for practical calculations. Using a paradigmatic model and by benchmarking to non-Markovian dynamics we demonstrate the validity and numerical efficiency of the proposed scheme. We observe that the interactions can dramatically reduce the possibility of a negative friction coefficient, thus the self-sustainable current induced motion (i.e. molecular motor) can be suppressed by the interactions.