The number of transmission channels through a single-molecule junction

J. P Bergfield; J. D. Barr; C. A. Stafford

doi:10.1021/nn1030753

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arXiv · 1008.0035

The number of transmission channels through a single-molecule junction

J. P Bergfield·J. D. Barr·C. A. Stafford

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Abstract

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 $π$-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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J. P Bergfield, J. D. Barr, C. A. Stafford. 2010-11-19. The number of transmission channels through a single-molecule junction. https://doi.org/10.1021/nn1030753

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