Regensburg 2007 – wissenschaftliches Programm
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TT: Fachverband Tiefe Temperaturen
TT 6: Nanoelectronics III - Molecular Electronics
TT 6.1: Vortrag
Montag, 26. März 2007, 14:00–14:15, H19
Electron transport through organic molecules and the influence of adsorbates on the conductance of aluminium contacts — •F. Pauly1,2, S. Wohlthat1,2, J. Viljas1,2, M. Häfner1,2, J.C. Cuevas1,2,3, and Gerd Schön1,2 — 1Institut für Theoretische Festkörperphysik, Universität Karlsruhe, D-76128 Karlsruhe — 2Institut für Nanotechnologie, Forschungszentrum Karlsruhe, D-76021 Karlsruhe — 3Departamento de Física Teórica de la Materia Condensada C-V, Universidad Autónoma de Madrid, E-28049 Madrid
In the first part of this talk we will analyze the electrical conductance properties of a series of organic molecules. This series comprises molecules with different numbers of phenyl rings and modified side groups [1]. For these oligophenylenes we investigate the changes in the conductance due to both varied molecule lengths and different bonding positions within our newly developed DFT transport program [2,3]. As a second application of our method we study the transport properties of atomic-sized aluminium contacts in the presence of oxygen molecules, namely O, O2, and O3. In particlar we analyze the evolution of the transport characteristics for increasing electrode distances, simulating the opening of a break junction [4].
[1] M. Elbing, PhD Thesis, FZ Karlsruhe (2005); [2] F. Pauly, PhD Thesis, Universität Karlsruhe (2007); [3] F. Pauly, J.K. Viljas, U. Huniar, M. Häfner, J.C. Cuevas, and Gerd Schön, (in preparation); [4] S. Wohlthat, Diploma thesis, Universität Karlsruhe (2006)