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Spin-transport selectivity upon Co adsorption on antiferromagnetic graphene nanoribbons

机译:Co在反铁磁石墨烯纳米带上的自旋迁移选择性

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We investigate from first principles the electronic and transport properties of zigzag graphene nanoribbons in the presence of Co adatoms. Comparing different adsorption sites across the width, we find that the Co-C coupling is rather sensitive to the local environment. While a net spin polarization appears in all cases, the spin filtering effect is significantly enhanced when the Co adatom is at the edge, where the adsorption energy is maximized and a partial suppression of edge-associated transport channels occurs. We also probe the magnetic interaction in the nonbonding regime, for Co-graphene nanoribbon (GNR) distances ranging from adsorption to π-π typical configurations. Our results indicate that Co-GNR coupling is still appreciable in an intermediate range, whereas it becomes vanishingly small in the limit of π-π distances.
机译:我们从第一原理出发,研究在Co原子存在下之字形石墨烯纳米带的电子和传输性能。比较整个宽度上的不同吸附位点,我们发现Co-C耦合对局部环境相当敏感。尽管在所有情况下都出现净自旋极化,但是当Co吸附原子位于边缘时,自旋过滤效果会显着增强,在该边缘处,吸附能最大,并且发生了与边缘相关的传输通道的部分抑制。我们还研究了从吸附到π-π典型构型的Co-石墨烯纳米带(GNR)距离在非键合状态下的磁相互作用。我们的结果表明,Co-GNR耦合在中间范围内仍可观,而在π-π距离的极限内却变得很小。

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