Atomic origin of magnetic coupling of antiphase boundaries in magnetite thin films

Chunyang Gao ¹Yixiao Jiang ¹Tingting Yao ¹Ang Tao ²Xuexi Yan ²Xiang Li ²Chunlin Chen ¹Xiu-Liang Ma ²Hengqiang Ye³

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作者信息

1. Shenyang National Laboratory for Materials Science,Institute of Metal Research,Chinese Academy of Sciences,School of Materials Science and Engineering,University of Science and Technology of China,Shenyang 110016,China;Ji Hua Laboratory,Foshan 528200,China
2. Shenyang National Laboratory for Materials Science,Institute of Metal Research,Chinese Academy of Sciences,School of Materials Science and Engineering,University of Science and Technology of China,Shenyang 110016,China
3. Ji Hua Laboratory,Foshan 528200,China
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Abstract

Revealing the magnetic coupling nature of boundary defects is crucial for in-depth understanding of the behavior and properties of magnetic materials and devices.Here,magnetite(i.e.,Fe3O4)thin films were grown epitaxially on(100)SrTiO3 single-crystal substrates by pulsed laser deposition.Atomic-scale scan-ning transmission electron microscopy characterizations reveal that three types of antiphase boundaries(APBs)are formed in the Fe3O4 thin film.They are the(100)APB that is formed on the(100)plane with a crystal translation of(1/4)a[011],the type Ⅰ and type Ⅱ(110)APBs that are both formed on the(110)plane with the same crystal translation of(1/4)a[101]but different terminated atomic planes.The type Ⅰ(110)APB is terminated at the atomic plane with mixed tetrahedral-and octahedral-sites Fe atoms,the type Ⅱ(110)APB is terminated at the octahedral-site Fe plane.First-principles calculations reveal that the(100)APB and the type Ⅰ(110)APB tend to form the ferromagnetic coupling that will not decrease the spin polarization of Fe3O4 films,while the type Ⅱ(110)APB prefers to form the antiferromagnetic coupling that will degrade the magnetic properties.The magnetic coupling modes of the APBs are closely related to the Fe-O-Fe bond angles across the boundaries.

Key words

Fe3O4/Transmission electron microscopy/Antiphase boundary/Magnetic coupling/First-principles calculations

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基金项目

National Natural Science Foun-dation of China(51771200)

National Natural Science Foun-dation of China(51971224)

National Natural Science Foun-dation of China(51801215)

LiaoNing Re-vitalization Talents Program(XLYC1802088)

Key Re-search Program of Frontier Sciences,CAS(QYZDY-SSW-JSC027)

Hua Laboratory Project X210141TL210()

calculations were performed on TianHe-1 A)at National Su-percomputer Center in Tianjin()

出版年

2022

材料科学技术(英文版)

中国金属学会中国材料研究学会中国科学院金属研究所

材料科学技术(英文版)

CSTPCDCSCDSCI

影响因子：0.657

ISSN：1005-0302

参考文献量36

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