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 language | English (US) |
|---|---|
| Pages (from-to) | 2707-2714 |
| Number of pages | 8 |
| Journal | ACS Nano |
| Volume | 5 |
| Issue number | 4 |
| DOIs | |
| State | Published - Apr 26 2011 |
Keywords
- lead-molecule coupling
- many-body theory
- single-molecule junction
- transmission channels
- wave-particle duality
ASJC Scopus subject areas
- General Materials Science
- General Engineering
- General Physics and Astronomy
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