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首页> 外文期刊>Physical review >First-principles study of perpendicular magnetic anisotropy in CoFe/MgO and CoFe/Mg_3B_2O_6 interfaces
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First-principles study of perpendicular magnetic anisotropy in CoFe/MgO and CoFe/Mg_3B_2O_6 interfaces

机译：CoFe / MgO和CoFe / Mg_3B_2O_6界面中垂直磁各向异性的第一性原理研究

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摘要

The CoFeB/MgO interface is important not only because of its ability to act as a good spin filter, but also because it exhibits significant magnetic interface anisotropy. However, there is experimental evidence that the mineral kotoite (Mg_3B_2O_6) forms at this interface, possibly as a result of B diffusion into the oxide. Recent calculations have demonstrated that kotoite is a surprisingly good spin filter material, despite the lack of cubic symmetry. It is not a priori clear how the perpendicular anisotropy is affected if kotoite forms at the interface. Hereby, we have performed first-principles density functional calculations to investigate the magnetic anisotropy of CoFe/kotoite interfaces. We find that the Co/Fe atoms bind strongly to O atoms of kotoite, and the CoFe/kotoite interfaces exhibit strong perpendicular magnetic anisotropy (PMA) comparable to that of CoFe/MgO interfaces. Analysis of the electronic structure shows that CoFe states having d_(xz) and d_(yz) character are strongly affected by the magnetization direction and play an important role in determining the magnetic anisotropy of both CoFe/kotoite and CoFe/MgO interfaces. Our observations are consistent with previous experimental observations of PMA. We demonstrate that the interface properties are only weakly affected by the formation of kotoite compared to MgO.
机译：CoFeB / MgO界面很重要，不仅因为它具有良好的自旋滤波器功能，还因为它具有显着的磁界面各向异性。但是，有实验证据表明，可能是B扩散到氧化物中的结果，矿物的陨石（Mg_3B_2O_6）在此界面形成。最近的计算表明，尽管缺乏立方对称性，但kotoite是一种出众的良好自旋过滤材料。如果在界面处形成kotoite，则先验不清楚如何影响垂直各向异性。因此，我们已经进行了第一性原理密度泛函计算，以研究CoFe / kotoite界面的磁各向异性。我们发现，Co / Fe原子牢固地与kotoite的O原子结合，并且CoFe / kotoite界面表现出与CoFe / MgO界面相当的强垂直磁各向异性（PMA）。电子结构分析表明，具有d_（xz）和d_（yz）特性的CoFe态受磁化方向的强烈影响，并且在确定CoFe / kotoite和CoFe / MgO界面的磁各向异性中起着重要作用。我们的观察结果与先前的PMA实验观察结果一致。我们证明，与MgO相比，界面性能仅受kotoite形成的影响很小。

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  • 来源
    《Physical review》 |2013年第17期|160-165|共6页
  • 作者

    K. H. Khoo; G. Wu; M. H. Jhon; M. Tran; F. Ernult; K. Eason; H. J. Choi; C. K. Gan;

  • 作者单位

    Institute of High Performance Computing, Agency for Science Technology and Research, 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632;

    Institute of High Performance Computing, Agency for Science Technology and Research, 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632;

    Institute of High Performance Computing, Agency for Science Technology and Research, 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632;

    Data Storage Institute, Agency for Science, Technology, and Research, DSI Building, 5 Engineering Drive 1, Singapore 117608;

    Data Storage Institute, Agency for Science, Technology, and Research, DSI Building, 5 Engineering Drive 1, Singapore 117608;

    Data Storage Institute, Agency for Science, Technology, and Research, DSI Building, 5 Engineering Drive 1, Singapore 117608;

    Department of Physics and IPAP, Yonsei University, Seoul 120-749, Korea;

    Institute of High Performance Computing, Agency for Science Technology and Research, 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632;

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  • 正文语种 eng
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  • 关键词

    magnetic anisotropy; magnetic properties of interfaces (multilayers, superlattices, heterostructures); 73.40.rw; spin polarized transport;

    机译：磁各向异性界面的磁性（多层;超晶格;异质结构）;73.40.rw;自旋极化传输;

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