Transmission eigenvalue distributions in highly conductive molecular junctions

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

Beilstein J. Nanotechnol. 2012, 3, 40–51, doi:10.3762/bjnano.3.5

• transmission eigenchannels into molecular resonances based on the isolated resonance approximation, which helps to illustrate the workings of our many-body theory, and facilitates unambiguous interpretation of transmission spectra. Conclusion: We confirm that Pt–benzene–Pt junctions have two dominant

• ; multichannel; quantum transport; single-molecule junction; transmission eigenchannels; Introduction The number of transmission channels for a single-atom contact between two metallic electrodes is simply given by the chemical valence of the atom [1]. Recently, it was argued [2] that the number of dominant

• ] to describe the transport problem by considering an “extended molecule”, composed of the molecule and several electrode atoms. This procedure makes it difficult, if not impossible, to assign transmission eigenchannels to individual molecular resonances since the quantum states of the extended