Intermolecular Effect in Molecular Electronics

Details Intermolecular Effect in Molecular Electronics Intermolecular Effect in Molecular Electronics

2004-09-20

arxiv.org/abs/cond-mat/0409523v1

J. Chem. Phys. 122, 044703 (2005) (4 pages)

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

4 pages, 5 figures

Scientific paper

10.1063/1.1825377

We investigate the effects of lateral interactions on the conductance of two molecules connected in parallel to semi-infinite leads. The method we use combines a Green function approach to quantum transport with density functional theory for the electronic properties. The system, modeled after a self-assembled monolayer, consists of benzylmercaptane molecules sandwiched between gold electrodes. We find that the conductance increases when intermolecular interaction comes into play. The source of this increase is the indirect interaction through the gold substrate rather than direct molecule-molecule interaction. A striking resonance is produced only 0.3 eV above the Fermi energy.

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