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arXiv 1504.07282cond-mat.mes-hallcond-mat.mtrl-sci
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FeCoCp3分子磁体作为自旋过滤器

FeCoCp3 Molecular Magnets as Spin Filters

P. N. Abufager, R. Robles, N. Lorente

摘要:

金属有机分子由于其电子结构的大自旋极化而被认为是分子自旋电子学中优良的自旋过滤器。然而,大多数涉及自旋输运的研究忽略了基本方面,如分子的磁各向异性和电子输运过程中自旋翻转过程的激发。在这里,我们研究了一个分子含有一个Co和一个Fe原子堆叠在三个具有大的磁各向异性和S=1的磁环之间。这些数字优于其他具有相同过渡金属的分子,并提高了分子的自旋过滤能力。基于密度泛函理论的非平衡格林函数计算预测了在隧道和接触输运机制中的优异的自旋过滤性质。然而,激发第一磁态会大大降低电流的自旋极化。此外,电极之间的温度差导致也抑制自旋极化的强热电效应。我们的研究表明,原则上自旋电子学的好分子候选人需要面对非弹性和热电效应。

英文摘要:

Metallorganic molecules have been proposed as excellent spin filters in molecular spintronics because of the large spin-polarization of their electronic structure. However, most of the studies involving spin transport, have disregarded fundamental aspects such as the magnetic anisotropy of the molecule and the excitation of spin-flip processes during electron transport. Here, we study a molecule containing a Co and an Fe atoms stacked between three cyclopentadienyl rings that presents a large magnetic anisotropy and a S=1. These figures are superior to other molecules with the same transition metal, and improves the spin-filtering capacities of the molecule. Non-equilibrium Green's functions calculations based on density functional theory predict excellent spin-filtering properties both in tunnel and contact transport regimes. However, exciting the first magnetic state drastically reduces the current's spin polarization. Furthermore, a difference of temperature between electrodes leads to strong thermoelectric effects that also suppress spin polarization. Our study shows that in-principle good molecular candidates for spintronics need to be confronted with inelastic and thermoelectric effects.

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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