Local Structure Analysis around Ti in Lead Zirconate Titanate by X‐Ray Fluorescence Holography,Physica Status Solidi (B) - Basic Solid State Physics

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Local Structure Analysis around Ti in Lead Zirconate Titanate by X‐Ray Fluorescence Holography
Physica Status Solidi (B) - Basic Solid State Physics ( IF 1.5 ) Pub Date : 2020-07-07 , DOI: 10.1002/pssb.202000191
Kouichi Hayashi _{1,

2} , Cong Lu ₁ , Artoni Kevin R. Ang ₁ , Kenji Ohwada ₃ , Yujuan Xie ₄ , Wen Hu ₅ , Tomohiro Matsushita ₆ , Naohisa Happo ₇ , Shinya Hosokawa ₈ , Alexei A. Bokov ₄ , Zuo-Guang Ye ₄

Affiliation

To clarify the mechanism of ferroelectricity in lead zirconate titanate (PZT), the local structure around Ti in a Pb(Zr_0.7Ti_0.3)O₃ single crystal is investigated using X‐ray fluorescence holography. The raw hologram data are contaminated by periodic noise due to the fluctuation of the incident X‐ray intensity. The periodical noise is successfully removed using an inverse Fourier transformation method. From the filtered holograms, the atomic images around Ti can be reconstructed clearly. The reconstructions of B‐site cations demonstrate an outward displacement of the neighboring Ti from the ideal B‐site position, indicating an expansion of the local lattice around Ti. In addition, the splitting of Pb images is found, and the relative displacement between Ti and Pb atoms is deduced. These results contribute to the understanding of the local structure of PZT and can reveal the microscopic origins of very high dielectric and piezoelectric responses, which are essential for designing new and improved ferroelectric materials.

中文翻译：

X射线荧光全息术分析钛酸锆铅中钛周围的局部结构

为了阐明锆钛酸铅（PZT）中铁电的机理，Pb（Zr _0.7 Ti _0.3）O _3中Ti周围的局部结构使用X射线荧光全息术研究单晶。由于入射X射线强度的波动，原始全息图数据会受到周期性噪声的污染。使用逆傅立叶变换方法可以成功消除周期性噪声。根据滤波后的全息图，可以清晰地重建Ti周围的原子图像。B位阳离子的重建表明相邻的Ti从理想的B位位置向外移动，表明Ti周围的局部晶格扩展。另外，发现了Pb图像的分裂，并推导了Ti和Pb原子之间的相对位移。这些结果有助于理解PZT的局部结构，并且可以揭示非常高的介电和压电响应的微观起源，

更新日期：2020-07-07

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