Regensburg 2002 – wissenschaftliches Programm
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SYQT: Quantentransport auf molekularen Skalen
SYQT 1: Quantentransport auf molekularen Skalen
SYQT 1.2: Vortrag
Montag, 11. März 2002, 11:30–11:45, H2
Electrical transport through single-molecule junctions: from molecular orbitals to conduction channels — •J. Heurich1, J. C. Cuevas1, W. Wenzel2, and G. Schön1,2 — 1Institut für theoretische Festkörperphysik, Universität Karlsruhe, 76128 Karlsruhe, Germany — 2Forschungszentrum Karlsruhe, Institut für Nanotechnologie, 76021 Karlsruhe, Germany
We present an atomistic theory of electronic transport through single organic molecules that reproduces the important features of the current-voltage characteristics observed in recent experiments. We trace these features to their origin in the electronic structure of the molecules and their local atomic environment. We demonstrate how conduction channels arise from the molecular orbitals and elucidate which specific properties of the individual orbitals determine their contribution to the current.