Electrical transport through single-molecule junctions: from molecular orbitals to conduction channels
Mesoscale and Nanoscale Physics
2009-11-07 v1 Materials Science
Abstract
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.
Cite
@article{arxiv.cond-mat/0110147,
title = {Electrical transport through single-molecule junctions: from molecular orbitals to conduction channels},
author = {J. Heurich and J. C. Cuevas and W. Wenzel and G. Schoen},
journal= {arXiv preprint arXiv:cond-mat/0110147},
year = {2009}
}
Comments
Revtex4, 4 pages, 4 figures. Version with color figures in http://www-tfp.physik.uni-karlsruhe.de/~cuevas/Publications.html