Density of States and Transmission in Molecular Transport Junctions

Zsolt Bihary, Mark A Ratner

Research output: Chapter in Book/Report/Conference proceedingChapter

1 Citation (Scopus)

Abstract

Electron transport through molecular junctions (a molecule coordinated to two electrodes) is a non-equilibrium phenomenon, and corresponds to a current/voltage spectroscopy. We discuss such transport in two different limits. In the scanning tunneling microscope limit, where the coupling to one electrode is very much stronger than that to the other, the density of states (DOS) along the molecule effectively dominates the transport. However, when the couplings to the two electrodes are comparable, then the DOS itself is inadequate to determine either mechanism or magnitude of transport. The DOS still describes the quantum interference effects and the statistical aspects of transport, but the actual mechanism is described by another factor, that we call the transmittance. This transmittance function modulates the DOS, due to the effects of electronic structure changes (and, though not explored here, other couplings through interelectronic correlations or vibronic coupling). In the limit of transport outside of the band, the superexchange-type exponential decay with length enters not through the DOS, but through the transmittance function.

Original languageEnglish
Title of host publicationAdvances in Quantum Chemistry
Pages3
Number of pages1
Volume48
DOIs
Publication statusPublished - 2005

Publication series

NameAdvances in Quantum Chemistry
Volume48
ISSN (Print)00653276

Fingerprint

Electrodes
transmittance
Molecules
electrodes
Electronic structure
Microscopes
Spectroscopy
Scanning
Electric potential
molecules
microscopes
electronic structure
interference
scanning
electric potential
decay
spectroscopy
electrons
Electron Transport

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Bihary, Z., & Ratner, M. A. (2005). Density of States and Transmission in Molecular Transport Junctions. In Advances in Quantum Chemistry (Vol. 48, pp. 3). (Advances in Quantum Chemistry; Vol. 48). https://doi.org/10.1016/S0065-3276(05)48003-X

Density of States and Transmission in Molecular Transport Junctions. / Bihary, Zsolt; Ratner, Mark A.

Advances in Quantum Chemistry. Vol. 48 2005. p. 3 (Advances in Quantum Chemistry; Vol. 48).

Research output: Chapter in Book/Report/Conference proceedingChapter

Bihary, Z & Ratner, MA 2005, Density of States and Transmission in Molecular Transport Junctions. in Advances in Quantum Chemistry. vol. 48, Advances in Quantum Chemistry, vol. 48, pp. 3. https://doi.org/10.1016/S0065-3276(05)48003-X
Bihary Z, Ratner MA. Density of States and Transmission in Molecular Transport Junctions. In Advances in Quantum Chemistry. Vol. 48. 2005. p. 3. (Advances in Quantum Chemistry). https://doi.org/10.1016/S0065-3276(05)48003-X
Bihary, Zsolt ; Ratner, Mark A. / Density of States and Transmission in Molecular Transport Junctions. Advances in Quantum Chemistry. Vol. 48 2005. pp. 3 (Advances in Quantum Chemistry).
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