首页> 中文期刊> 《原子与分子物理学报》 >金属/C2H2/金属结构中的电子输运

金属/C2H2/金属结构中的电子输运

         

摘要

The electronic transmission through the molecular wire, metal/C2H2/metal, is studied using a tight-binding model and the transfer-matrix technique. The electronic transmission coefficient and the change of electronic density of states in the wire are analytically calculated from the scattering matrix with the help of the transfer-matrix. The dependence on the electronic transmission of the energy parameter and the metalmolecule coupling, and molecule site-energy and atom-atom coupling within the molecule are analyzed in detail. Our results show such molecular wire have switching character.%在紧束缚近似下,利用转移矩阵法对"金属/C2H2/金属"结构的分子导线的电子输运性质进行了研究.通过转移矩阵法求出转移矩阵和散射矩阵,从而解析地得到体系的透射系数和态密度的变化,并详细分析了透射系数对C2H2与金属的耦合强度及两个(CH)间的耦合强度的依赖关系.我们的结果显示这种结构的分子导线有着较好的开关特性.

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