【摘要】 利用密度泛函与非平衡态格林函数相结合的方法,研究了双铁酞菁（Fe₂Pc₂）与金纳米线电极构成分子器件的自旋输运性质.研究发现即使不存在磁性电极的情况下,Fe₂Pc₂分子器件也能表现出良好的自旋过滤效应和较大的磁阻.与传统的磁隧道结相比,仅通过改变位于酞菁分子中心的铁原子的磁矩方向即可实现对该分子结的自旋输运性质的调控.更多还原

【Abstract】 The spin transport of a molecular device composed of a binuclear ferric phthalocyanine（Fe₂Pc₂） and gold nanowire electrode was studied by combining density functional with non-equilibrium green’s function. It is found that the Fe₂Pc₂ molecular devices exhibited larger spin filtering effect and magnetoresistance ratio even where magnetic electrodes did not exist. Compared with the traditional magnetic tunneling junction, the spin transport property of the molecular junction can be tuned only by altering the magnetization orientation of the Fe atom at the center of the molecule.更多还原