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Effects of relative orientation of the molecules on electron transport in molecular devices

By Yan-Hong Zhou, Xiao-Hong Zheng, Ying Xu, Zhao Yang Zeng and Zhi Zeng

Abstract

Effects of relative orientation of the molecules on electron transport in molecular devices are studied by non-equilibrium Green's function method based on density functional theory. In particular, two molecular devices, with the planer Au$_{7}$ and Ag$_{3}$ clusters sandwiched between the Al(100) electrodes are studied. In each device, two typical configurations with the clusters parallel and vertical to the electrodes are considered. It is found that the relative orientation affects the transport properties of these two devices completely differently. In the Al(100)-Au$_7$-Al(100) device, the conductance and the current of the parallel configuration are much larger than those in the vertical configuration, while in the Al(100)-Ag$_{3}$-Al(100) device, an opposite conclusion is obtained

Topics: Condensed Matter - Mesoscale and Nanoscale Physics
Publisher: 'IOP Publishing'
Year: 2006
DOI identifier: 10.1088/0256-307X/23/9/072
OAI identifier: oai:arXiv.org:cond-mat/0610871

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