Electrical transport through single-molecule junctions: from molecular orbitals to conduction channels

Details Electrical transport through single-molecule junctions: from molecular orbitals to conduction channels Electrical transport through single-molecule junctions: from molecular orbitals to conduction channels

2001-10-08

arxiv.org/abs/cond-mat/0110147v1

Phys. Rev. Lett. 88, 256803 (2002).

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

Revtex4, 4 pages, 4 figures. Version with color figures in http://www-tfp.physik.uni-karlsruhe.de/~cuevas/Publications.html

Scientific paper

10.1103/PhysRevLett.88.256803

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.

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