BiFeO3 / LaFeO3异质结构中极化作用调节的巨磁电耦合和二维电子气。,The Journal of Physical Chemistry C

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BiFeO3 / LaFeO3异质结构中极化作用调节的巨磁电耦合和二维电子气。
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2019-06-25 , DOI: 10.1021/acs.jpcc.9b04499
Wei Sun ₁ , Wenxuan Wang ₁ , Dong Chen ₁ , Zhenxiang Cheng _{1,

2,

3} , Tingting Jia ₃ , Yuanxu Wang ₁

Affiliation

钙钛矿氧化物的界面最近已成为功能化平台的平台，这得益于逐层成膜技术的发展，无论是理论上的预测还是实验上的研究，这些新的物理性质都可以实现功能化。在这项工作中，通过结合在BiFeO ₃（BFO）/ LaFeO ₃处的表面极性不连续性和界面铁电（FE）极化不连续性（LFO）异质结构（HSs），我们不仅可以实现磁有序和2D电子气，还可以通过反转BFO的极化方向，将这些特性从绝缘反铁磁有序调整为100％自旋极化半金属铁磁。密度泛函理论计算揭示了极化操纵的机理，即界面磁性的交换相互作用在双交换和超交换之间交替发生，同时改变了平面八面体的旋转角度并改变了界面电子数FE极化反转引起的。此外，考虑到低维系统可能会发生急剧的相变，HS与FeO ₂事实证明，通过改变HS端子和LFO的厚度，具有三层LaO层的铁氧体端子具有最佳的结构，在计算比较后显示出最大的磁矩。我们的工作将有助于根据磁场和传输特性的电场调谐来制造用于信息存储或传感器的新型设备。

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Giant Magnetoelectric Coupling and Two-Dimensional Electron Gas Regulated by Polarization in BiFeO3/LaFeO3 Heterostructures

The interface of perovskite oxides has recently become a platform to functionalize novel physical properties, both theoretically predicted and experimentally examined, benefiting from the advances of lay-by-lay film growth technology. In this work, by the combination of both surface polar discontinuity and interfacial ferroelectric (FE) polarization discontinuity at the BiFeO₃ (BFO)/LaFeO₃ (LFO) heterostructures (HSs), we can not only realize magnetic ordering and 2D electron gas but also tune these properties from insulating antiferromagnetic ordering to 100% spin-polarized half-metallic ferromagnetism by reversing the polarization direction of BFO. Density functional theory calculations uncover the mechanisms of the polarization manipulation, that is, the exchange interaction of interfacial magnetism occurs alternately between double-exchange and superexchange accompanied by changing the rotation angle of the in-plane octahedron and modification of the electron number at the interface induced by FE polarization reversal. In addition, considering the possibility of sharp phase transition happening for low-dimension systems, the HS with the FeO₂ terminal and with three LaO layers has been proved to possess an optimum structure, showing the largest magnetic moment after calculation comparison by changing the HS terminal and the thickness of LFO. Our work will help to fabricate novel devices for information memory or sensors based on electric field tuning of magnetic and transport properties.

更新日期：2019-06-26

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