【摘要】 利用基于GreenFunction的Tight-binding方法,对由两个苯环分子耦合成的二端子纳米分子桥的量子传导特性进行了理论研究,在考虑到每一个碳原子中只有一个π轨道电子参与传导,注意到分子桥体和原子电极之间的Hoping积分比较弱的情况下 (约为普通值的 0 6),得出入射电子通过二端纳米分子桥的电子传输谱。结果显示透射电子传输峰值的出现是传导电子与分子轨道能级谐振的结果,而电子传输的振荡特性是透射电子粒子性与波动性同时存在时的物理反映。更多还原

【Abstract】 A two-terminal nano-molecular bridge model that consists of two benzene rings with 10 carbon atoms is presented. The characteristics of quantum transmission through the two-terminal nano-molecular bridge is investigated theoretically by using Tight-binding approach based on the Green’s function with only a π orbital per carbon atom at the site. Electronic transmission probability through the molecular bridge to output terminal is obtained, the transmission peaks appear at the points where incident electronic energies is resonant with the molecular orbits, and the oscillation by the electronic wave-particle duality is explained.更多还原