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Inelastic Current−Voltage Characteristics of Atomic and Molecular Junctions

Chen, Yu-Chang and Zwolak, Michael and Di Ventra, Massimiliano (2004) Inelastic Current−Voltage Characteristics of Atomic and Molecular Junctions. Nano Letters, 4 (9). pp. 1709-1712. ISSN 1530-6984. doi:10.1021/nl0490927.

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We report first-principles calculations of the inelastic current−voltage (I−V) characteristics of a gold point contact and a molecular junction in the nonresonant regime. Discontinuities in the I−V curves appear in correspondence to the normal modes of the structures. Due to the quasi-one-dimensional nature of these systems, specific modes with large longitudinal components dominate the inelastic I−V curves. In the case of the gold point contact, our results are in good agreement with recent experimental data. For the molecular junction, we find that the inelastic I−V curves are quite sensitive to the structure of the contact between the molecule and the electrodes, thus providing a powerful tool to extract the bonding geometry in molecular wires.

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Additional Information:© 2004 American Chemical Society. Received 14 June 2004. Published online 10 August 2004. Published in print 1 September 2004. We acknowledge support from the NSF Grant Nos. DMR-01-02277 and DMR-01-33075, and Carilion Biomedical Institute. Acknowledgment is also made to the donors of the Petroleum Research Fund, administered by the American Chemical Society, for partial support of this research. One of us (M.Z.) acknowledges partial support from an NSF Graduate Fellowship.
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Carilion Biomedical InstituteUNSPECIFIED
American Chemical Society Petroleum Research FundUNSPECIFIED
NSF Graduate Research FellowshipUNSPECIFIED
Issue or Number:9
Record Number:CaltechAUTHORS:20170807-071415620
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Official Citation:Inelastic Current−Voltage Characteristics of Atomic and Molecular Junctions Yu-Chang Chen, Michael Zwolak, and Massimiliano Di Ventra Nano Letters 2004 4 (9), 1709-1712 DOI: 10.1021/nl0490927
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:79828
Deposited By: Ruth Sustaita
Deposited On:07 Aug 2017 17:37
Last Modified:15 Nov 2021 17:50

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