The large perpendicular magnetic anisotropy induced at the Co2FeAl/MgAl2O4 interface and tuned with the strain, voltage and charge doping by first principles study
The large perpendicular magnetic anisotropy induced at the Co2FeAl/MgAl2O4 interface and tuned with the strain, voltage and charge doping by first principles study
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通过第一原理研究，在 Co2FeAl/MgAl2O4 界面处感应出大的垂直磁各向异性，并通过应变、电压和电荷掺杂进行调整
DOI：
10.1088/1361-6528/ac218f
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发表时间：
2021-08
期刊：
影响因子：
3.5
通讯作者：
Shi Jing
中科院分区：
文献类型：
--
作者：
Cheng Ming;Zhang Zhenhua;Yuan Xiaojuan;Liu Yong;Lu Zhihong;Xiong Rui;Shi Jing
具有高垂直磁各向异性（PMA）的异质结构在长数据保持时间和小尺寸的非易失性存储器的应用中具有优势。采用第一性原理计算方法研究了Co2 FeAl/MgAl 2 O 4异质结的界面结构和磁各向异性能。稳定的界面原子排列是位于扭曲氧八面体中赤道氧坐标上方的Co或FeAl层。Co-O界面可以产生高达4.54 mJ m−2的有效PMA，但这种结构是亚稳态结构。同时，有效磁声发射随铁磁层厚度的增加而线性减小。FeAl-O界面的有效MAE仅为1.3 mJ m−2，而保持PMA效应的Co2 FeAl层的最大厚度约为1.717 nm。这些值与实验结果非常接近。通过d轨道分辨的MAE，我们证实界面PMA主要来源于界面3d原子的dxy，dyz和dz 2轨道间的杂化。另外，压应变、负电场和空穴掺杂均能显著提高FeAl-O界面的有效PMA。同时，通过调整尖晶石层中Mg/Al的比例，Co-O界面将成为最稳定的结构。大的有效PMA使得Co2 FeAl/MgAl 2 O 4结成为下一代非易失性自旋电子器件的理想候选者。
The heterostructures with high perpendicular magnetic anisotropy (PMA) have advantages for the application of the nonvolatile memories with long data retention time and small size. The interface structure and magnetic anisotropy energy (MAE) of Co2FeAl/MgAl2O4 heterostructures were studied by first principles calculations. The stable interface atomic arrangement is the Co or FeAl layer located above the equatorial oxygen coordinate in the distorted oxygen octahedrons. The Co–O interface can induce large effective PMA up to 4.54 mJ m−2, but this structure is a metastable structure. Meanwhile, the effective MAE decreases linearly as the thickness of the ferromagnetic layer increase. The effective MAE for the FeAl–O interface is only 1.3 mJ m−2, while the maximum thickness of Co2FeAl layer that maintains the PMA effect is about 1.717 nm. These values are very close to the experimental results. Through d-orbital-resolved MAE, we confirm that the interface PMA is mainly originated from the hybridization between dxy, dyz and dz2 orbitals of interface 3d atoms. In addition, the compressive strain, negative electric field and hole doping can significantly enhance the effective PMA of FeAl–O interface. At the same time, Co–O interface will become the most stable structure by tuning the Mg/Al ratio in the spinel layers. The large effective PMA makes the Co2FeAl/MgAl2O4 junction a perfect candidate for the next-generation of non-volatile spintronic devices.
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影响因子：
16.6
作者：
Wang M;Cai W;Cao K;Zhou J;Wrona J;Peng S;Yang H;Wei J;Kang W;Zhang Y;Langer J;Ocker B;Fert A;Zhao W
通讯作者：
Zhao W
影响因子：
4.6
作者：
Barnes SE;Ieda J;Maekawa S
通讯作者：
Maekawa S
影响因子：
4
作者：
T. Marukame
通讯作者：
T. Marukame
直接观察 Co2FeAl 薄膜中的高自旋极化
影响因子：
4.6
作者：
Zhang X;Xu H;Lai B;Lu Q;Lu X;Chen Y;Niu W;Gu C;Liu W;Wang X;Liu C;Nie Y;He L;Xu Y
通讯作者：
Xu Y
影响因子：
3.4
作者：
Po-Hao Chang;W. Fang;T. Ozaki;K. Belashchenko
通讯作者：
Po-Hao Chang;W. Fang;T. Ozaki;K. Belashchenko