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第一性原理计算揭示的BiFeO₃/BaTiO₃异质结构中的铁电可调磁性

Ferroelectrically tunable magnetism in BiFeO/BaTiO heterostructure revealed by the first-principles calculations.

作者信息

Wang Wenxuan, Sun Wei, Zhang Guangbiao, Ren Fengzhu, Wang Yuanxu, You Caiyin, Cheng Zhenxiang

机构信息

Institute for Computational Materials Science, School of Physics and Electronics, Henan University, Kaifeng 475004, People's Republic of China.

National Demonstration Center for Experimental Physics and Electronics Education, School of Physics, Henan University, Kaifeng 475004, People's Republic of China.

出版信息

J Adv Res. 2020 May 5;24:371-377. doi: 10.1016/j.jare.2020.04.012. eCollection 2020 Jul.

DOI:10.1016/j.jare.2020.04.012
PMID:32477607
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7248427/
Abstract

The perovskite oxide interface has attracted extensive attention as a platform for achieving strong coupling between ferroelectricity and magnetism. In this work, robust control of magnetoelectric (ME) coupling in the BiFeO/BaTiO (BFO/BTO) heterostructure (HS) was revealed by using the first-principles calculation. Switching of the ferroelectric polarization of BTO induce large ME effect with significant changes on the magnetic ordering and easy magnetization axis, making up for the weak ME coupling effect of single-phase multiferroic BFO. In addition, the Dzyaloshinskii-Moriya interaction (DMI) and the exchange coupling constants for the BFO part of the HSs are simultaneously manipulated by the ferroelectric polarization, especially the DMI at the interface is significantly enhanced, which is three or four times larger than that of the individual BFO bulk. This work paves the way for designing new nanomagnetic devices based on the substantial interfacial ME effect.

摘要

钙钛矿氧化物界面作为实现铁电与磁性强耦合的平台,已引起广泛关注。在这项工作中,通过第一性原理计算揭示了BiFeO/BaTiO(BFO/BTO)异质结构(HS)中磁电(ME)耦合的稳健控制。BTO铁电极化的切换会诱导出较大的ME效应,同时磁有序和易磁化轴会发生显著变化,弥补了单相多铁性BFO较弱的ME耦合效应。此外,HS中BFO部分的Dzyaloshinskii-Moriya相互作用(DMI)和交换耦合常数可通过铁电极化同时进行调控,特别是界面处的DMI显著增强,比单个BFO块体大三四倍。这项工作为基于显著的界面ME效应设计新型纳米磁性器件铺平了道路。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/af1a/7248427/acbc91e4f2c7/gr4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/af1a/7248427/c7c35cc1c87d/ga1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/af1a/7248427/3f280d8b0149/gr1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/af1a/7248427/c9ee8c80d53a/gr2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/af1a/7248427/96985c9b03ce/gr3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/af1a/7248427/acbc91e4f2c7/gr4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/af1a/7248427/c7c35cc1c87d/ga1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/af1a/7248427/3f280d8b0149/gr1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/af1a/7248427/c9ee8c80d53a/gr2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/af1a/7248427/96985c9b03ce/gr3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/af1a/7248427/acbc91e4f2c7/gr4.jpg

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