Effect of contact interface configuration on electronic transport in (C<sub>20</sub>)<sub>2</sub>-based molecular junctions期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

Effect of contact interface configuration on electronic transport in (C₂₀)₂-based molecular junctions

Authors:	Guomin JiDongmei Li Changfeng FangYuqing Xu Yaxin ZhaiBin Cui Desheng Liu

Affiliation:	^a School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, China ^b Department of Physics and Astronomy, University of Utah, Salt Lake City, UT 84112-0830, USA ^c Department of Physics, Jining University, Qufu 273155, China

Abstract:	Using first-principles calculations, we study the electronic transport properties in Au(C₂₀)₂Au molecular junctions with different contact interface configurations: point contact and bond contact. We observe that the transmission through the bond contact is considerably higher than that of point contact. Furthermore, the I-V characteristics are rather different. For the bond contact, we get a metallic behavior followed by a varistor-type behavior. While as for the point contact, the current increases very slowly in a nonlinear way and is one order of magnitude smaller than that of bond contact. We attribute these obvious differences to the distinct contact configurations.

Keywords:	Molecular electronics First-principles Electron transport C₂₀
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