The number of transmission channels through a single-molecule junction

Details The number of transmission channels through a single-molecule junction The number of transmission channels through a single-molecule junction

2010-07-31

arxiv.org/abs/1008.0035v4

ACS Nano, 2011, 5 (4), pp 2707-2714

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

9 pages, 8 figures

Scientific paper

10.1021/nn1030753

We calculate transmission eigenvalue distributions for Pt-benzene-Pt and Pt-butadiene-Pt junctions using realistic state-of-the-art many-body techniques. An effective field theory of interacting $\pi$-electrons is used to include screening and van der Waals interactions with the metal electrodes. We find that the number of dominant transmission channels in a molecular junction is equal to the degeneracy of the molecular orbital closest to the metal Fermi level.

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