Inelastic current-voltage characteristics of atomic and molecular junctions

Yu-Chang Chen, Michael Zwolak, Massimiliano Di Ventra*

*Corresponding author for this work

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93 引文 斯高帕斯(Scopus)


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.

頁(從 - 到)1709-1712
期刊Nano Letters
出版狀態Published - 1 九月 2004

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