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中国物理学会期刊

四端纳米分子桥的量子传输特征

CSTR: 32037.14.aps.54.233

Quantum transport of four-terminal nano-molecular bridge

CSTR: 32037.14.aps.54.233
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  • 利用基于Greenfunction的Tight-binding方法,对由平面共轭分子连结而成的有四个端子的纳米分子桥进行了理论研究和数值模拟,得出了入射电子通过纳米分子桥传输到各个端点的电子透射概率.利用Fisher-Lee关系式和电子流密度理论,在透射概率出现峰值的四个能量点E=±12,E=±149处计算了分子桥内的电子流分布.不仅得出了键电子流的最大值,而且揭示了分子内环路电子流生成和存在是由于分子轨道波函数的位相差使电子流的大小和方向发生变化而引起的.

     

    The characteristics of quantum transmission through a four-terminal nano-molecular bridge are investigated theoretically by using tight-binding approach, based on the Green's function with only a π orbital per carbon atom at the site. The transmission probabilities of the electrons transported through the molecular bridge to every terminal are obtained. The electronic current distributions inside the molecular bridge are calculated and shown in graphical analogy by the current density method and Fisher-Lee formulism at the energy points E=±12 and E=±149 where transmission probabilities show peaks, the maximum bond currents are also presented. It is found that the loop currents in molecules are induced by the phase difference of the molecular orbitals.

     

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