Publikace ÚTF

Vibronic effects on resonant electron conduction through single molecule junctions

Benesch, C; Čížek, M; Thoss, M; Domcke, W

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 it-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.
typ:article
journal:Chem. Phys. Lett.
volume:430
pages:355-360
year:2006
eprint:cond-mat/0606756
publisher:ELSEVIER SCIENCE BV
odkaz: http://utf.mff.cuni.cz/~cizek/naseclanky/2006_bctd.pdf

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