噻吩/钴界面自旋极化反转的特性
Peculiarities of Spin Polarization Inversion at a Thiophene/Cobalt Interface
摘要：
我们用从头计算方法研究了噻吩分子与钴衬底界面处的自旋极化。我们发现，减少对称性的存在下的硫原子（在噻吩分子）导致一个强烈的空间依赖性的分子的自旋极化：两个远离硫的碳原子获得相反的极化基板，而直接键合到硫的碳原子具有相同的极化基板。我们确定这种奇特的自旋接口属性的起源，以及它对自旋输运的影响。
英文摘要：
We perform ab-initio calculations to investigate the spin polarization at the interface between a thiophene molecule and cobalt substrate. We find that the reduced symmetry in the presence of a sulfur atom (in the thiophene molecule) leads to a strong spatial dependence of the spin polarization of the molecule: The two carbon atoms far from the sulfur acquire a polarization opposite to that of the substrate, while the carbon atoms bonded directly to sulfur possess the same polarization as the substrate. We determine the origin of this peculiar spin interface property as well as its impact on the spin transport.
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