1Department of Physics, Jiangxi Normal University, Nanchang 330022
2Key Laboratory of Material Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031
Effects of Relative Orientation of Molecules on Electron Transport in Molecular Devices
1Department of Physics, Jiangxi Normal University, Nanchang 330022
2Key Laboratory of Material Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031
Abstract： Effects of relative orientation of the molecules on electron transport in molecular devices are studied by the non-equilibrium Green function method based on density functional theory. In particular, two molecular devices with planar Au7 and Ag3 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)--Au7--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)--Ag3--Al(100) device, an opposite conclusion is obtained.
ZHOU Yan-Hong;ZHENG Xiao-Hong;XU Ying;ZENG Zhao-Yang;ZENG Zhi. Effects of Relative Orientation of Molecules on Electron Transport in Molecular Devices[J]. 中国物理快报, 2006, 23(9): 2609-2612.
ZHOU Yan-Hong, ZHENG Xiao-Hong, XU Ying, ZENG Zhao-Yang, ZENG Zhi. Effects of Relative Orientation of Molecules on Electron Transport in Molecular Devices. Chin. Phys. Lett., 2006, 23(9): 2609-2612.
2006, Vol. 23 
