Electric field tunable half-metallic characteristic at Fe3O4/BaTiO3 interfaces.
Electric field tunable half-metallic characteristic at Fe3O4/BaTiO3 interfaces.
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DOI：
10.1039/c6cp07858c
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发表时间：
2017-02
期刊：
影响因子：
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通讯作者：
X. Hou;Xiaocha Wang;Guifeng Chen;W. Mi
中科院分区：
文献类型：
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作者：
X. Hou;Xiaocha Wang;Guifeng Chen;W. Mi
用第一性原理计算方法研究了Fe3O4/BaTiO3异质结构的界面电子结构。由于二氧化钛的两个极化方向，FeBO端基模型显示出不同的界面结合强度。与OTI-FeBO模型相比，由于Ti3d和Feb3d在费米水平上的杂化效应，TiFeBO模型的自旋极化达到100%，并且可以被电场和TiO极化方向所调制。负电场可以控制界面钛和氧与FeB的杂化强度，而正电场对杂化强度没有显著影响。Fe_3O_4/BaTiO_3界面的可调高自旋极化在自旋电子器件中具有潜在的应用前景。
The interfacial electronic structure of Fe3O4/BaTiO3 heterostructures was investigated using first-principles calculations. Owing to the two TiO-polarization directions, FeBO-terminated models show different interfacial binding strengths. Compared with the OTi-FeBO model, the TiO-FeBO model shows a spin polarization of 100% due to the hybridization effect of Ti 3d and FeB 3d at the Fermi level, which can be modulated by the electric field and TiO polarization directions. Negative electric field can control the strength of the hybridization of the interfacial Ti and O with FeB, but the positive electric field has no significant effect on it. The tunable high spin polarization at Fe3O4/BaTiO3 interfaces has potential applications in spintronic devices.