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

Bergfield, Justin P; Barr, Joshua D; Stafford, Charles A · ACS Nano · 2011

basic_science · Level V

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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.