Ferroelectric Ordering in Nanosized PbTiO3,Nano Letters

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Ferroelectric Ordering in Nanosized PbTiO3
Nano Letters ( IF 9.6 ) Pub Date : 2022-11-21 , DOI: 10.1021/acs.nanolett.2c03303
Qiang Li ₁ , Jing Sun ₁ , Yuanpeng Zhang ₂ , Tianyu Li ₁ , Hui Liu ₁ , Yili Cao ₁ , Qinghua Zhang ₃ , Lin Gu ₄ , Takashi Honda ₅ , Kazutaka Ikeda ₅ , Toshiya Otomo ₅ , Kun Lin ₁ , Jinxia Deng ₁ , Xianran Xing ₁

Affiliation

The insight into the three-dimensional configuration of ferroelectric ordering in ferroelectric nanomaterials is motivated by the application of the development of functional nanodevices and the structural designing. However, the atomic deciphering of the spatial distribution of ordered structure remains challenging for the limitation of dimension and probing techniques. In this paper, a neutron pair distribution function (nPDF) was utilized to analyze the spontaneous polarization distribution of zero-dimensional PbTiO₃ nanoparticles in three dimensions, via the application of reverse Monte Carlo (RMC) modeling. The comprehensive identification with transmission electron microscopy verified the linear characteristics of polarization along the c-axis in the main body, while electric polarization distribution on the surface was enhanced abnormally. In addition, the correlation of dipole vectors extending to three unit cells below the surface is retained. This work shows an application of the micro/macroscale information to effectively decode the polarization structure of nanoferroelectrics, providing new views of designing nanoferroelectric devices.

中文翻译：

纳米级 PbTiO3 中的铁电有序

功能纳米器件的开发和结构设计的应用推动了对铁电纳米材料中铁电有序三维构型的深入了解。然而，由于维度和探测技术的限制，有序结构空间分布的原子破译仍然具有挑战性。在本文中，通过应用反向蒙特卡罗 (RMC) 建模，利用中子对分布函数 (nPDF) 在三个维度上分析零维 PbTiO _{3纳米粒子的自发极化分布。}透射电子显微镜综合鉴定验证了偏振沿c的线性特征-轴在主体中，而表面的电极化分布异常增强。此外，延伸到表面以下三个晶胞的偶极子矢量的相关性被保留。这项工作展示了微观/宏观信息在有效解码纳米铁电体极化结构中的应用，为纳米铁电器件的设计提供了新的视角。

更新日期：2022-11-21

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