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25 April 2024
 
  » arxiv » cond-mat/0606756

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Vibronic effects on resonant electron conduction through single molecule junctions
C. Benesh ; M. Thoss ; W. Domcke ; M. Cizek ;
Date 29 Jun 2006
Subject Mesoscopic Systems and Quantum Hall Effect
AbstractThe 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 $pi$-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.
Source arXiv, cond-mat/0606756
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