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arXiv 0901.4271cond-mat.mtrl-sci
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单分子磁体Mn $_{12}$跨金属电极输运中的自旋过滤效应

Spin-filtering effect in the transport through a single-molecule magnet Mn$_{12}$ bridged between metallic electrodes

Salvador Barraza-Lopez, Kyungwha Park, Víctor García-Suárez, Jaime Ferrer

摘要:

本文用非平衡格林函数方法结合密度泛函理论计算了双端结构下单分子磁体Mn $_{12}$的电子输运。单分子磁体Mn $_{12}$通过硫醇基团和烷烃链桥接在Au(111)电极之间,使得其磁易轴垂直于输运方向。零偏压下自旋极化透射系数的计算结果表明,费米能级附近的共振隧穿仅通过多数自旋的分子轨道发生。因此,对于低偏置电压,期望自旋过滤效应,诸如仅一个自旋分量贡献于电导。这种效应甚至在包含额外的电子关联的情况下也会持续存在。

英文摘要:

Electronic transport through a single-molecule magnet Mn$_{12}$ in a two-terminal set up is calculated using the non-equilibrium Green's function method in conjunction with density-functional theory. A single-molecule magnet Mn$_{12}$ is bridged between Au(111) electrodes via thiol group and alkane chains such that its magnetic easy axis is normal to the transport direction. A computed spin-polarized transmission coefficient in zero-bias reveals that resonant tunneling near the Fermi level occurs through some molecular orbitals of majority spin only. Thus, for low bias voltages, a spin-filtering effect such as only one spin component contributing to the conductance, is expected. This effect would persist even with inclusion of additional electron correlations.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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