First-principles study of electron-conduction properties of helical gold nanowires.
First-principles study of electron-conduction properties of helical gold nanowires.
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DOI：
10.1103/physrevlett.94.206806
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发表时间：
2004-09
影响因子：
8.6
通讯作者：
T. Ono;K. Hirose
中科院分区：
文献类型：
--
作者：
T. Ono;K. Hirose
基于密度泛函理论的第一性原理计算发现，悬浮在半无限电极之间的多壳螺旋金纳米线（HGNs）具有特殊的电子传导特性。我们的研究结果表明，HGNs中的传导通道数量及其电导率比单原子行纳米线所期望的要小，这证实了最近的实验。此外，我们还得到了一个更惊人的结果，即在薄HGNs的情况下，电子电流在壳层周围螺旋流动会产生不同的磁场。这一发现表明，HGNs可以作为纳米级螺线管的良好候选者。
Multishell helical gold nanowires (HGNs) suspended between semi-infinite electrodes are found to exhibit peculiar electron-conduction properties by first-principles calculations based on the density functional theory. Our results that the numbers of conduction channels in the HGNs and their conductances are smaller than those expected from a single-atom row nanowire verify the recent experiment. In addition, we obtained a more striking result that, in the cases of thin HGNs, distinct magnetic fields are induced by the electronic current helically flowing around the shells. This finding indicates that the HGNs can be good candidates for nanometer-scale solenoids.