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Large spontaneous polarization in polar perovskites of PbTiO3–Bi(Zn1/2Ti1/2)O3†
Inorganic Chemistry Frontiers ( IF 6.1 ) Pub Date : 2018-03-26 00:00:00 , DOI: 10.1039/c8qi00184g Zhao Pan 1, 2, 3, 4, 5 , Xingxing Jiang 6, 7, 8, 9, 10 , Jun Chen 4, 5, 11, 12 , Lei Hu 4, 5, 11, 12 , Hajime Yamamoto 13, 14, 15, 16 , Linxing Zhang 4, 5, 11, 12 , Longlong Fan 4, 5, 11, 12 , Xi'an Fan 1, 2, 3, 4 , Yawei Li 1, 2, 3, 4 , Guangqiang Li 1, 2, 3, 4 , Yang Ren 17, 18, 19, 20 , Zheshuai Lin 6, 7, 8, 9, 10 , Masaki Azuma 13, 14, 15, 16 , Xianran Xing 4, 5, 11, 12
Inorganic Chemistry Frontiers ( IF 6.1 ) Pub Date : 2018-03-26 00:00:00 , DOI: 10.1039/c8qi00184g Zhao Pan 1, 2, 3, 4, 5 , Xingxing Jiang 6, 7, 8, 9, 10 , Jun Chen 4, 5, 11, 12 , Lei Hu 4, 5, 11, 12 , Hajime Yamamoto 13, 14, 15, 16 , Linxing Zhang 4, 5, 11, 12 , Longlong Fan 4, 5, 11, 12 , Xi'an Fan 1, 2, 3, 4 , Yawei Li 1, 2, 3, 4 , Guangqiang Li 1, 2, 3, 4 , Yang Ren 17, 18, 19, 20 , Zheshuai Lin 6, 7, 8, 9, 10 , Masaki Azuma 13, 14, 15, 16 , Xianran Xing 4, 5, 11, 12
Affiliation
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PbTiO3–Bi(Zn1/2Ti1/2)O3 is considered to be a promising high-ferroelectric performance material in the Pb/Bi-based perovskite family. In the present study, a whole set of (1 − x)PbTiO3–xBi(Zn1/2Ti1/2)O3 (0 ≤ x ≤ 1) solid solutions have been prepared by the conventional solid-state and high-pressure vs. high-temperature methods. The effect of Bi(Zn1/2Ti1/2)O3 on the crystal structure has been investigated by synchrotron X-ray powder diffraction. Unlike most PbTiO3-based perovskites, the present system exhibits a continuously enhanced tetragonality (c/a) and large spontaneous polarization (PS) properties. The enhanced c/a is ascribed to the large spontaneous polarization displacements induced by the strong Pb/Bi–O hybridization and coupling interactions between Ti/Zn and Pb/Bi cations, which can be evidenced from the lattice dynamics study and first-principles calculations. Accordingly, the TC (i.e., x = 0.5) is expected to be approximately 1000 °C if its perovskite structure can be stabilized. The present study provides a route to obtain large-PS in PbTiO3-based ferroelectric materials by introducing isostructural perovskites with strong polarity.
中文翻译：
PbTiO 3 -Bi（Zn 1/2 Ti 1/2）O 3 †的钙钛矿中的大自发极化
在基于Pb / Bi的钙钛矿系列中，PbTiO 3 -Bi（Zn 1/2 Ti 1/2）O 3被认为是一种有前途的高铁电性能材料。在本研究中，一整组的（1 - X）的PbTiO 3 - X的Bi（锌1/2的Ti 1/2）O 3（0≤ X ≤1）固溶体已经制备通过常规固态和高压与高温方法。Bi（Zn 1/2 Ti 1/2）O 3的作用通过同步加速器X射线粉末衍射研究了晶体结构。不像大多数的PbTiO 3系钙钛矿，本发明的系统显示出一个不断增强正方晶（ç /一个）和大的自发极化（P小号）属性。增强的c / a归因于强Pb / Bi-O杂化以及Ti / Zn与Pb / Bi阳离子之间的耦合相互作用引起的大的自发极化位移，这可以从晶格动力学研究和第一性原理计算中得到证明。 。因此，Ť Ç（即，X如果钙钛矿结构可以稳定，则其温度约为0.5°C（= 0.5）。本研究提供了一种通过引入具有强极性的等结构钙钛矿获得基于PbTiO 3的铁电材料中大P S的途径。
更新日期：2018-03-26
中文翻译：
PbTiO 3 -Bi（Zn 1/2 Ti 1/2）O 3 †的钙钛矿中的大自发极化
在基于Pb / Bi的钙钛矿系列中，PbTiO 3 -Bi（Zn 1/2 Ti 1/2）O 3被认为是一种有前途的高铁电性能材料。在本研究中，一整组的（1 - X）的PbTiO 3 - X的Bi（锌1/2的Ti 1/2）O 3（0≤ X ≤1）固溶体已经制备通过常规固态和高压与高温方法。Bi（Zn 1/2 Ti 1/2）O 3的作用通过同步加速器X射线粉末衍射研究了晶体结构。不像大多数的PbTiO 3系钙钛矿，本发明的系统显示出一个不断增强正方晶（ç /一个）和大的自发极化（P小号）属性。增强的c / a归因于强Pb / Bi-O杂化以及Ti / Zn与Pb / Bi阳离子之间的耦合相互作用引起的大的自发极化位移，这可以从晶格动力学研究和第一性原理计算中得到证明。 。因此，Ť Ç（即，X如果钙钛矿结构可以稳定，则其温度约为0.5°C（= 0.5）。本研究提供了一种通过引入具有强极性的等结构钙钛矿获得基于PbTiO 3的铁电材料中大P S的途径。
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