Vibronic effects on resonant electron conduction through single molecule junctions
arXiv:cond-mat/0606756 · doi:10.1016/j.cplett.2006.09.003
Abstract
The influence of vibrational motion on electron conduction through single molecules bound to metal electrodes is investigated employing first-principles electronic-structure calculations and projection-operator Green's function methods. Considering molecular junctions where a central phenyl ring is coupled via (alkane)thiol-bridges to gold electrodes, it is shown that -- depending on the distance between the electronic -system and the metal -- electronic-vibrational coupling may result in pronounced vibrational substructures in the transmittance, a significantly reduced current as well as a quenching of negative differential resistance effects.
Submitted to Chem. Phys. Lett. (13 pages, 5 figures) this version: typos and formating corrected
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