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首页> 外文期刊>Applied Surface Science >Modulation of spatial spin polarization at organic spinterface by side groups
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Modulation of spatial spin polarization at organic spinterface by side groups

机译：侧基对有机键界面空间自旋极化的调制

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摘要

Spin polarization at benzene/Ni organic/ferromagnetic interface is investigated by applying different substituting side groups. Based on first-principle calculations, it is demonstrated that the spin polarization of the states may be tuned in magnitude and sign by the side groups, which depends on the type of side groups as well as their position in the aromatic ring. Especially, a spatial spin polarization modulation is realized at the surface with the utilization of electron donating group -NH2 or electron accepting group -NO2. The analysis of projected density of states onto the p(z) orbital of carbon atoms indicates that the side group reduces the structural symmetry of the molecule and changes the p(z) orbital of carbon atom at different position, which further modifies the p(z)-d orbital hybridization as well as the spin transfer between the molecule and the ferromagnet. This work indicates a feasible way to modulate the spatial spin polarization at organic spinterface by side groups, which deserves to be measured by spin-polarized scanning tunneling microscopy. (C) 2017 Elsevier B.V. All rights reserved.
机译：通过应用不同的取代侧基，研究了苯/镍有机/铁磁界面的自旋极化。基于第一性原理计算，证明了状态的自旋极化可以通过侧基在大小和符号上进行调节，这取决于侧基的类型及其在芳环中的位置。尤其是，利用给电子基团-NH 2或受电子基团-NO 2在表面上实现空间自旋极化调制。对碳原子p（z）轨道上的状态投影密度的分析表明，侧基降低了分子的结构对称性并改变了碳原子在不同位置的p（z）轨道，从而进一步修饰了p（ z）-d轨道杂交以及分子和铁磁体之间的自旋转移。这项工作表明了一种可行的方法来调节侧基在有机键合界面处的空间自旋极化，这值得通过自旋极化扫描隧道显微镜进行测量。 （C）2017 Elsevier B.V.保留所有权利。

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  • 来源
    《Applied Surface Science》 |2018年第ptab期|416-420|共5页
  • 作者

    Qiu Shuai; Zhang Zhao; Miao Yuan-yuan; Zhang Guang-ping; Ren Jun-feng; Wang Chuan-kui; Hu Gui-chao;

  • 作者单位

    Shandong Normal Univ, Sch Phys & Elect, Jinan 250014, Shandong, Peoples R China;

    Shandong Normal Univ, Sch Phys & Elect, Jinan 250014, Shandong, Peoples R China;

    Shandong Normal Univ, Sch Phys & Elect, Jinan 250014, Shandong, Peoples R China;

    Shandong Normal Univ, Sch Phys & Elect, Jinan 250014, Shandong, Peoples R China;

    Shandong Normal Univ, Sch Phys & Elect, Jinan 250014, Shandong, Peoples R China;

    Shandong Normal Univ, Sch Phys & Elect, Jinan 250014, Shandong, Peoples R China;

    Shandong Normal Univ, Sch Phys & Elect, Jinan 250014, Shandong, Peoples R China;

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  • 原文格式 PDF
  • 正文语种 eng
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  • 关键词

    Organic interface; Spin polarization; Side group;

    机译：有机界面;自旋极化;侧基;

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