Inelastic current-voltage characteristics of atomic and molecular junctions

被引:87
作者
Chen, YC
Zwolak, M
Di Ventra, M [1 ]
机构
[1] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA
[2] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA
[3] CALTECH, Dept Phys, Pasadena, CA 91125 USA
关键词
D O I
10.1021/nl0490927
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
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.
引用
收藏
页码:1709 / 1712
页数:4
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