Berlin 2018 – wissenschaftliches Programm
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TT: Fachverband Tiefe Temperaturen
TT 74: Molecular Electronics and Photonics
TT 74.9: Vortrag
Mittwoch, 14. März 2018, 18:15–18:30, H 3005
Rotational dynamics of model molecular gears: non-equilibrium Green's function approach — •Huang-Hsiang Lin1,2, Alexander Croy1, Rafael Gutiérrez1, and Gianaurelio Cuniberti1,3,4 — 1Institute for Materials Science and Max Bergmann Center of Biomaterials, TU Dresden, 01069 Dresden, Germany — 2Max Planck Institute for the Physics of Complex Systems, 01187 Dresden, Germany — 3Dresden Center for Computational Materials Science, TU Dresden, 01062 Dresden, Germany — 4Center for Advancing Electronics Dresden, TU Dresden, 01062 Dresden, Germany
The possibility of creating nanoscale molecular gears has opened novel routes to implement true molecule-based mechanical analogs. Here, we investigate, within a model Hamiltonian approach, the rotational dynamics of a molecular gear. For this, we combine Langevin dynamics and non-equilibrium Green's functions to compute current-induced torque and damping, which allows it to study the influence of the electronic system on the rotational dynamics. Our model provides the rotational analog of the Anderson-Holstein Hamiltonian. To demonstrate the typical behavior of the gear, we present analytical and numerical calculations.