Dresden 2009 – wissenschaftliches Programm
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TT: Fachverband Tiefe Temperaturen
TT 35: Postersession Transport: Nanoelectronics, Quantum Coherence and Quantum Information, Fluctuations and Noise
TT 35.12: Poster
Mittwoch, 25. März 2009, 14:00–18:00, P1A
Charge transport properties of highly conducting tetrathiafulvalene (TTF) based nano-wires — •Marius Bürkle1, Fabian Pauly1, Janne Viljas1,2, Juan Carlos Cuevas3, and Gerd Schön1,2 — 1Institut für Theoretische Festkörperphysik and DFG-Center for Functional Nanostructures — 2Forschungszentrum Karlsruhe, Institut für Nanotechnologie, 76021 Karlsruhe, Germany Condensada, Universidad Autònoma de Madrid, 28049 Madrid — 3Departamento de Física Teórica de la Materia
In a recent experiment [1], an unexpectedly high conductance was observed for tetrathiafulvalene based nanowires, when contacted by gold electrodes. Using density functional calculations [2], we demonstrate that this is due to the highest occupied molecular orbital, which aligns such that it is located only slightly below the Fermi energy of gold. We study the robustness of our findings by an analysis of different types of tetrathiafulvalene based nanowires and contact geometries.
[1] F. Giacalon et. al., Chem. Commun., 2007, 4854 - 4856, DOI: 10.1039/b710739k
[2] F. Pauly et. al., arXiv:0806.4173 and New J. Phys. (in press)