| Literature DB >> 21417212 |
Justin P Bergfield1, Joshua D Barr, Charles A Stafford.
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.Entities:
Year: 2011 PMID: 21417212 DOI: 10.1021/nn1030753
Source DB: PubMed Journal: ACS Nano ISSN: 1936-0851 Impact factor: 15.881