Polarization pinning at antiphase boundaries in multiferroic YbFeO3

doi:10.1088/1674-1056/ad8cbc

中国物理B ›› 2024, Vol. 33 ›› Issue (11): 118502-118502.doi: 10.1088/1674-1056/ad8cbc

Polarization pinning at antiphase boundaries in multiferroic YbFeO₃

Guodong Ren¹, Pravan Omprakash¹, Xin Li², Yu Yun^2,3, Arashdeep S. Thind¹, Xiaoshan Xu^2,4, and Rohan Mishra^5,1,†

1 Institute of Materials Science and Engineering, Washington University in St. Louis, St. Louis, MO 63130, USA;
2 Department of Physics and Astronomy, University of Nebraska, Lincoln, NE 68588, USA;
3 Department of Mechanical Engineering & Mechanics, Drexel University, Philadelphia, PA 19104-2875, USA;
4 Nebraska Center for Materials and Nanoscience, University of Nebraska, Lincoln, NE 68588, USA;
5 Department of Mechanical Engineering and Material Science, Washington University in St. Louis, St. Louis, MO 63130, USA

收稿日期:2024-08-30 修回日期:2024-10-11 接受日期:2024-10-30 出版日期:2024-11-15 发布日期:2024-11-15
基金资助:
This work was supported by the National Science Foundation (NSF) (Grant Nos. DMR-2122070, 2145797, and 1454618), and by the Nebraska Center for Energy Sciences Research (NCESR). The Microscopy work was conducted as part of a user project at the Center for Nanophase Materials Sciences (CNMS), which is a US Department of Energy, Office of Science User Facility at Oak Ridge National Laboratory. This work used computational resources through allocation DMR160007 from the Advanced Cyberinfrastructure Coordination Ecosystem: Services & Support (ACCESS) program, which is supported by NSF grants #2138259, #2138286, #2138307, #2137603, and #2138296.

Polarization pinning at antiphase boundaries in multiferroic YbFeO₃

Guodong Ren¹, Pravan Omprakash¹, Xin Li², Yu Yun^2,3, Arashdeep S. Thind¹, Xiaoshan Xu^2,4, and Rohan Mishra^5,1,†

1 Institute of Materials Science and Engineering, Washington University in St. Louis, St. Louis, MO 63130, USA;
2 Department of Physics and Astronomy, University of Nebraska, Lincoln, NE 68588, USA;
3 Department of Mechanical Engineering & Mechanics, Drexel University, Philadelphia, PA 19104-2875, USA;
4 Nebraska Center for Materials and Nanoscience, University of Nebraska, Lincoln, NE 68588, USA;
5 Department of Mechanical Engineering and Material Science, Washington University in St. Louis, St. Louis, MO 63130, USA

Received:2024-08-30 Revised:2024-10-11 Accepted:2024-10-30 Online:2024-11-15 Published:2024-11-15
Contact: Rohan Mishra E-mail:rmishra@wustl.edu
Supported by:
This work was supported by the National Science Foundation (NSF) (Grant Nos. DMR-2122070, 2145797, and 1454618), and by the Nebraska Center for Energy Sciences Research (NCESR). The Microscopy work was conducted as part of a user project at the Center for Nanophase Materials Sciences (CNMS), which is a US Department of Energy, Office of Science User Facility at Oak Ridge National Laboratory. This work used computational resources through allocation DMR160007 from the Advanced Cyberinfrastructure Coordination Ecosystem: Services & Support (ACCESS) program, which is supported by NSF grants #2138259, #2138286, #2138307, #2137603, and #2138296.

1. 2024-118502-SI.pdf(1285KB)

摘要/Abstract

摘要： The switching characteristics of ferroelectrics and multiferroics are influenced by the interaction of topological defects with domain walls. We report on the pinning of polarization due to antiphase boundaries in thin films of the multiferroic hexagonal YbFeO$_{3}$. We have directly resolved the atomic structure of a sharp antiphase boundary (APB) in YbFeO$_{3}$ thin films using a combination of aberration-corrected scanning transmission electron microscopy (STEM) and total energy calculations based on density-functional theory (DFT). We find the presence of a layer of FeO$_{6}$ octahedra at the APB that bridges the adjacent domains. STEM imaging shows a reversal in the direction of polarization on moving across the APB, which DFT calculations confirm is structural in nature as the polarization reversal reduces the distortion of the FeO$_{6}$ octahedral layer at the APB. Such APBs in hexagonal perovskites are expected to serve as domain-wall pinning sites and hinder ferroelectric switching of the domains.

关键词: hexagonal ferrites, ferroelectric, multiferroic, topological defect, STEM

Abstract: The switching characteristics of ferroelectrics and multiferroics are influenced by the interaction of topological defects with domain walls. We report on the pinning of polarization due to antiphase boundaries in thin films of the multiferroic hexagonal YbFeO$_{3}$. We have directly resolved the atomic structure of a sharp antiphase boundary (APB) in YbFeO$_{3}$ thin films using a combination of aberration-corrected scanning transmission electron microscopy (STEM) and total energy calculations based on density-functional theory (DFT). We find the presence of a layer of FeO$_{6}$ octahedra at the APB that bridges the adjacent domains. STEM imaging shows a reversal in the direction of polarization on moving across the APB, which DFT calculations confirm is structural in nature as the polarization reversal reduces the distortion of the FeO$_{6}$ octahedral layer at the APB. Such APBs in hexagonal perovskites are expected to serve as domain-wall pinning sites and hinder ferroelectric switching of the domains.

Key words: hexagonal ferrites, ferroelectric, multiferroic, topological defect, STEM

中图分类号: (Ferrite and garnet devices)

85.70.Ge

75.85.+t (Magnetoelectric effects, multiferroics) 91.60.Ed (Crystal structure and defects, microstructure)

Guodong Ren, Pravan Omprakash, Xin Li, Yu Yun, Arashdeep S. Thind, Xiaoshan Xu, and Rohan Mishra. Polarization pinning at antiphase boundaries in multiferroic YbFeO₃[J]. 中国物理B, 2024, 33(11): 118502-118502.

Guodong Ren, Pravan Omprakash, Xin Li, Yu Yun, Arashdeep S. Thind, Xiaoshan Xu, and Rohan Mishra. Polarization pinning at antiphase boundaries in multiferroic YbFeO₃[J]. Chin. Phys. B, 2024, 33(11): 118502-118502.

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Polarization pinning at antiphase boundaries in multiferroic YbFeO₃

Polarization pinning at antiphase boundaries in multiferroic YbFeO₃

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