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Quantification of domain reorientation in polycrystalline distorted perovskites
Computational Materials Science ( IF 3.3 ) Pub Date : 2021-09-06 , DOI: 10.1016/j.commatsci.2021.110798
Shashaank Gupta 1 , Roop L. Mahajan 2
Affiliation  

The reorientation of crystallographic domains under the applied electric field plays an important role in determining the functional behavior of distorted perovskites. In polycrystalline ceramics, the mutual hindrance among the randomly oriented grains, which is not same for all the compositions, restricts the fraction of achievable domain switching. Here, an analytical framework has been developed to quantify the domain switching behavior in polycrystalline ceramics as a function of the crystallographic nature, and elastic, piezoelectric, ferroelectric and dielectric properties of the parent single crystals. To quantify the constantly varying stress and strain fields within, with successive domain reorientation processes, each randomly oriented crystallite has been considered to be an Eshelby inhomogeneity embedded in a polycrystalline matrix. Findings of the framework are validated by the experimental switching behavior of several well-known distorted perovskite ceramics (BaTiO3, PZT-T and PMNPT-R/T). In future, the framework can be utilized to assist several experimental strategies to achieve high performance in polycrystalline ceramics through enhanced domain switching.



中文翻译:

多晶畸变钙钛矿中畴重新定向的量化

在外加电场下晶体域的重新定向在确定畸变钙钛矿的功能行为方面起着重要作用。在多晶陶瓷中,随机取向晶粒之间的相互阻碍(对于所有成分并不相同)限制了可实现的域切换的比例。在这里,已经开发了一个分析框架来量化多晶陶瓷中的畴转换行为,作为晶体学性质的函数,以及母体单晶的弹性、压电、铁电和介电特性。为了量化内部不断变化的应力和应变场,通过连续的域重新取向过程,每个随机取向的微晶都被认为是嵌入多晶基质中的 Eshelby 不均匀性。3、PZT-T 和 PMNPT-R/T)。未来,该框架可用于辅助多种实验策略,通过增强域切换在多晶陶瓷中实现高性能。

更新日期:2021-09-06
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