The number of transmission channels through a single-molecule junction

Justin P. Bergfield, Joshua D. Barr, Charles A. Stafford

Research output: Contribution to journalArticle

14 Scopus citations

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.

Original languageEnglish (US)
Pages (from-to)2707-2714
Number of pages8
JournalACS Nano
Volume5
Issue number4
DOIs
StatePublished - Apr 26 2011

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Keywords

  • lead-molecule coupling
  • many-body theory
  • single-molecule junction
  • transmission channels
  • wave-particle duality

ASJC Scopus subject areas

  • Materials Science(all)
  • Engineering(all)
  • Physics and Astronomy(all)

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