环形聚乙炔分子桥的电导研究

我们选择了由40个CH基团组成的环形聚乙炔链作为分子桥,基于Landauer-Buttiker理论,利用求解散射波函数的方法,研究了这种环状聚乙炔分子桥与金属多端连接的电导随能量的变化关系.结果表明,在给定入射端的条件下,电导在正负能量上是对称的,当各个端口满足旋转对称性时,相对于入射端对称的两个出射端的电导相同.当分子桥耦合较弱时,电导对能量的变化相当敏感.

Conductance of a circular polyacetylene molecular bridge

We choose a circular polyacetylene chain consisting of 40 CH groups as a molecular bridge,the relationship between the conductance and energy of the circular polyacetylene molecular bridge connected with multi-terminal metals is studied,based on the Landauer-Buttiker theory,by using the scattering wave function method.The results show that when the condition of an input terminal is given,the conductance is symmetrical relatively to the zero energy.If the three terminals obey rotational symmetry,the conductance of the two symmetrical output terminals is equal.The conductance displays strong oscillation if the coupling between the polyacetylene loop and electrodes is weak.The conductance of each terminal is related to the local density of electrons.