论文标题

洞察钙钛矿抗纤维电阶段:兰道理论与相位研究

Insight into perovskite antiferroelectric phases: Landau theory and phase field study

论文作者

Liu, Zhen, Xu, Bai-Xiang

论文摘要

了解钙钛矿抗铁电(AFES)在材料设计和工程方面非常重要。 AFE结构域边界的介电和弹性特性缺乏研究。在这项工作中,提出了一种新颖的Landau理论来理解AFE相称和不相当阶段的转化,通过考虑氧八位体倾斜模式与极性模式之间的耦合。调制周期性和温度之间的派生关系与实验结果非常吻合。使用相位研究研究,我们表明在AFE结构域边界处抑制了极化,从而有助于AFE不相关阶段的残余极化和局部弹性应力场。

Understanding the appearance of commensurate and incommensurate modulations in perovskite antiferroelectrics (AFEs) is of great importance for material design and engineering. The dielectric and elastic properties of the AFE domain boundaries are lack of investigation. In this work, a novel Landau theory is proposed to understand the transformation of AFE commensurate and incommensurate phases, by considering the coupling between the oxygen octahedral tilt mode and the polar mode. The derived relationship between the modulation periodicity and temperature is in good agreement with the experimental results. Using the phase field study, we show that the polarization is suppressed at the AFE domain boundaries, contributing to a remnant polarization and local elastic stress field in AFE incommensurate phases.

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