Vibronic effects on resonant electron conduction through single molecule junctions

Article

Vibronic effects on resonant electron conduction through single molecule junctions

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

Chem. Phys. Lett. 430, 355-360 (2006)

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 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.

Institute authors

Čížek, Martin

BibTeX

@article{UTF64,
  author        = {Benesch, C. and Čížek, M. and Thoss, M. and Domcke, W.},
  title         = {{Vibronic effects on resonant electron conduction through single molecule junctions}},
  journal       = {Chem. Phys. Lett.},
  publisher     = {ELSEVIER SCIENCE BV},
  address       = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS},
  volume        = {430},
  pages         = {355-360},
  year          = {2006},
  eprint        = {cond-mat/0606756},
  archivePrefix = {arXiv},
  url           = {http://utf.mff.cuni.cz/\textasciitilde{}cizek/naseclanky/2006\_bctd.pdf},
}