Berlin 2008 – wissenschaftliches Programm
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TT: Fachverband Tiefe Temperaturen
TT 22: Transport: Poster Session
TT 22.31: Poster
Mittwoch, 27. Februar 2008, 14:00–18:00, Poster B
Charge transport properties of biphenyl molecules and tetrathiafulvalene — •Marius Bürkle1, Fabian Pauly1, Janne Viljas1,2, Juan Carlos Cuevas3, and Gerd Schön1,2 — 1Institut für Theoretische Festkörperphysik and DFG-Center for Functional Nanostructures, Universität Karlsruhe, 76128 Karlsruhe, Germany — 2Forschungszentrum Karlsruhe, Institut für Nanotechnologie, 76021 Karlsruhe, Germany — 3Departamento de Física Teórica de la Materia Condensada, Universidad Autónoma de Madrid, 28049 Madrid, Spain
We study theoretically the charge transport properties of single molecule junctions. For this, we use a combination of density functional theory and Green’s-function techniques [1]. In our analysis, we consider different types of molecules, namely biphenyl molecules and tetrathiafulvalene. For the biphenyl molecules, the tilt angle of the phenyl rings is changed continuously by means of alkyl chains of varied lengths. We investigate the dependence of both the tilt angle and the conductance on this chain length. In addition, we examine the conductance of tetrathiafulvalene.
[1] F. Pauly, Ph.D. Thesis, Universität Karlsruhe (2007).