一维钴分子链自旋电子器件的理论模拟

Theoretical Investigation One-dimensional Cobalt Molecular Chain Electronic Device

自旋电子学以研究自旋为信息载体,相比传统器件具有优异的性质得到了广泛关注.以实验合成的一维钴分子链分子为基础,利用密度泛函理论结合非平衡格林函数方法,模拟分析了一维钴分子链基器件在不同磁性态的自旋极化输运性质,发现其铁磁性态具有较好的自旋极化效率,而反铁磁态无自旋电流,从理论上详细分析了自旋极化输运现象的物理本质.该结果对理解钴分子链自旋电子器件的自旋输运性质和器件应用具有一定的理论意义.

Spintronics which takes spin as the carrier has attracted extensive attention due to its superior properties compared with traditional devices.Based on the experimentally synthesized one-dimensional cobalt molecular chain molecules,we simulated the spin-polarized transport properties of the one-dimensional cobalt molecular chain-based device using density functional theory combined with the non-equilibrium Green function method under different magnetic states.It is found that its ferromagnetic state shows good spin polarization efficiency,while the antiferromagnetic state has no spin current.We also carefully analyzed the physical mechanics of spin polarization transport properties in detail.These results are useful for understanding the spin transport properties the molecular device and has potential applications in spintronics with spin valves and spin transistors.