Berlin 2015 – scientific programme
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TT: Fachverband Tiefe Temperaturen
TT 113: Organic Electronics and Photovoltaics: Devices (jointly with CPP, HL)
TT 113.2: Talk
Friday, March 20, 2015, 10:15–10:30, C 130
Effects of Coulomb repulsion on conductance switching in organic molecules — •Irina Petreska1,2 and Gertrud Zwicknagl1 — 1Institut für Mathematische Physik, Technische Universität Braunschweig, 38 106 Braunschweig, Germany — 2Faculty of Natural Sciences and Mathematics, Ss. Cyril and Methodius University, 1 000 Skopje, Republic of Macedonia
Charge transfer in phenylene ethynylene oligomers (OPEs), using realistically estimated effective model parameters from first principles is studied by a combined, ab initio and model approach. The aim of our work is to investigate the Coulomb correlation effects on conductance switching in OPEs. In the proposed model, molecular electronic system is restricted to one-level coupled to metallic leads, described by a two-site Hubbard Hamiltonian. Comparison of the current-voltage curves, obtained from rate equations, for the planar and perpendicular conformer, clearly demonstrates enhancement of the switching process due to two-particle correlations.