Phase diagrams and physical properties of (111) oriented<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si0006.gif" overflow="scroll"><mml:mi>Pb</mml:mi><mml:mo>(</mml:mo><mml:msub><mml:mrow><mml:mi>Zr</mml:mi></mml:mrow><mml:mrow><mml:mn>1</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub><mml:msub><mml:mrow><mml:mi>Ti</mml:mi></mml:mrow><mml:mrow><mml:mi>x</mml:mi></mml:mrow></mml:msub><mml:mo>)</mml:mo><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow

Qiu, Jianhua; Chen, Z.H.; Wang, X.Q.; Yuan, Ningyi; Ding, Jianning

doi:10.1016/j.ssc.2016.07.028

Solid State Communications

2016

DOI: 10.1016/j.ssc.2016.07.028

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Phase diagrams and physical properties of (111) orientedPb(Zr1−xTix)O

Jianhua Qiu

Z.H. Chen

X.Q. Wang

et al.

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Cited by 4 publications

(1 citation statement)

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“…直到2016年, Wu 等 [21] 和Mtebwa等 [22] 建立了基于六阶极化项的(110)和(111)取向的铁电薄膜热力学理论. 最近, Wang和Ma [23] 建立了基于极化八阶项的(110)取向铁电薄膜的热力学理论. 但是(110)和(111)取向的有效自由能表达式比较复杂, 以至于一些文献报道的结果存在不一致的地方 [21,22,24,25] 例如, 采用无监督机器学习方法分析电压-热激励下压电弛豫的高维数据集, 自动识别材料的相变过程, 构建弛豫铁电晶体的电压-温度相图 [26] .…”

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Phase diagram and dielectric properties of orientation-dependent PbZr0.52Ti0.48O3 epitaxial films

Bai¹,

Telecommunications²,

Cui³

et al. 2021

Acta Phys. Sin.

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Exploring phase transition behaviors and constructing phase diagrams are of importance for theoretically and experimentally studying ferroelectric physics and materials. Because of the rapid development of computers and artificial intelligence, especially machine learning methods combined with other computational methods such as first principle calculation, it is possible to predict and choose appropriate materials that meet the target requirements from a large number of material data, which greatly saves the cost of experiments. In this work, we use neural network method and phenomenological theoretical calculations to accurately predict the phase structures that may appear in the phase diagrams of different orientated Pb(Zr0.52Ti0.48)O3 ferroelectric films, and establish the temperature-strain phase diagrams of (001), (110) and (111) oriented thin film, and calculate the polarization and dielectric properties of different oriented films at room temperature. By analyzing the changes of prediction accuracy and loss with the number of iterations, it is found that the deep neural network method has the advantages of high accuracy and speed in the construction of the film temperature-strain phase diagram and the prediction of the types of phases. Through the analysis of the room temperature polarization and dielectric properties, it is found that the (111)-oriented PbZr0.52Ti0.48O3 film has the largest out-of-plane polarization and the smallest out-of-plane dielectric coefficient, and they are insensitive to misfit strain. This work provides guidelines for designing micro-nano devices that require the stable dielectric coefficient and polarization performance in the special working environment and operation.

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Phase diagram and dielectric properties of orientation-dependent PbZr0.52Ti0.48O3 epitaxial films

Bai¹,

Telecommunications²,

Cui³

et al. 2021

Acta Phys. Sin.

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show abstract

Misfit strain-temperature phase diagram of multi-domain structures in (111)-oriented ferroelectric PbTiO3 films

et al. 2020

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Orientation dependence of phase diagrams and physical properties in epitaxial Ba 0.6 Sr 0.4 TiO 3 films

Qiu

Zhao

Chen

et al. 2018

Solid State Communications

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Phase diagrams and physical properties of (111) orientedPb(Zr1−xTix)O

Cited by 4 publications

References 29 publications

Phase diagram and dielectric properties of orientation-dependent PbZr<sub>0.52</sub>Ti<sub>0.48</sub>O<sub>3</sub> epitaxial films

Phase diagram and dielectric properties of orientation-dependent PbZr<sub>0.52</sub>Ti<sub>0.48</sub>O<sub>3</sub> epitaxial films

Misfit strain-temperature phase diagram of multi-domain structures in (111)-oriented ferroelectric PbTiO3 films

Orientation dependence of phase diagrams and physical properties in epitaxial Ba 0.6 Sr 0.4 TiO 3 films

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