Regensburg 2010 – scientific programme

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TT: Fachverband Tiefe Temperaturen

TT 40: TR: Nanoelectronics III: Molecular Electronics 2

TT 40.9: Talk

Friday, March 26, 2010, 13:30–13:45, H20

Dynamical properties of charge transport in organic systems — •Pedro D Manrique^1,2, Rafael Gutierrez¹, Gotthard Seifert², and Gianaurelio Cuniberti¹ — ¹Institute Material Science and Max Bergmann Center of Biomaterials. Dresden University of Technology, Dresden, Germany — ²Institute of Physical Chemistry and Electrochemistry. Dresden University of Technology, Dresden, Germany

We derive a non Markovian master equation for electronic transport including the interaction with external bosonic degrees of freedom. Within this formalism we calculate the time dependent current (TDC) at different temperatures. Results for the TDC are shown for different values of the coupling to the bosonic environment and we found significant changes in the short-time dynamics. The electronic parameters of the model are calculated via a combination of molecular dynamics simulations with a density functional-based approach including dispersion energy corrections.