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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。
In the tight bond approximation, the electron transport properties of the molecular wires of the “metal / C2H2 / metal” structure are studied by the transfer matrix method. The transfer matrix and scattering matrix are obtained by the transfer matrix method. The transmission coefficient and the density of states of the system are analyzed analytically. The coupling coefficient between C2H2 and metal and the coupling strength between two Dependencies. Our results show that the molecular wires of this structure have good switching characteristics.