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arxiv: 1008.0035 · v4 · pith:WPAPTJ3Wnew · submitted 2010-07-31 · ❄️ cond-mat.mes-hall · cond-mat.mtrl-sci· cond-mat.other

The number of transmission channels through a single-molecule junction

classification ❄️ cond-mat.mes-hall cond-mat.mtrl-scicond-mat.other
keywords transmissionchannelsjunctionmetalmolecularnumbercalculateclosest
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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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