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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 76: Organic Electronics and Photovoltaics: Devices (joint session CPP, HL, TT)

CPP 76.2: Vortrag

Freitag, 20. März 2015, 10:15–10:30, C 130

Effects of Coulomb repulsion on conductance switching in organic molecules — •Irina Petreska^1,2 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.