Polarization Pinning at an Antiphase Boundary in Multiferroic YbFeO$_3$

Guodong Ren, Pravan Omprakash, Xin Li, Yu Yun, Arashdeep S. Thind, Xiaoshan Xu, Rohan Mishra
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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 bridge 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.
多铁性 YbFeO$_3$ 中反相界的极化引脚
铁电体和多铁物的开关特性受到拓扑缺陷与畴壁相互作用的影响。我们研究了多铁素体六方镱铁氧体 (YbFeO$_3$) 薄膜中反相界引起的极化引脚。我们利用像差校正扫描透射电子显微镜(STEM)和基于密度函数理论(DFT)的总能量计算,直接解析了 YbFeO$_3$ 薄膜中尖锐反相边界(APB)的原子结构。STEM 成像显示,在移动穿过 APB 时极化方向会发生逆转,DFT 计算证实这是结构性的,因为极化逆转减少了 APB 处八面体层 FeO$_6$ 的畸变。六方包晶石中的这种 APB 预计会成为畴壁的钉扎点,阻碍畴的铁电转换。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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