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Evidence of the enhanced negative thermal expansion in (1 − x)PbTiO3-xBi(Zn2/3Ta1/3)O3

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Abstract

A series of new solid solutions, (1 − x)PbTiO3-xBi(Zn2/3Ta1/3)O3 (0 < x < 0.2), have been synthesized, which show abnormally enhanced negative thermal expansion. The results of synchrotron X-ray diffraction reveal that with the increase in the dopant of Bi(Zn2/3Ta1/3)O3 in the PbTiO3 system, the increase in spontaneous polarization displacement could improve the negative thermal expansion behavior due to the spontaneous volume ferroelectrostriction (SVFS) effect. The STEM images show that PbTiO3-Bi(Zn2/3Ta1/3)O3 exhibits stronger polarization than PbTiO3, which reveals a greater deviation. Moreover, the STEM images show that the element Ta has larger spontaneous polarization displacement than other B-site atoms. Furthermore, density functional theory calculations confirm the enhancement of hybridization between the A-site cations and oxygen upon the introduction of Bi(Zn2/3Ta1/3)O3. All the above pieces of evidence indicate that the interplay between the cations and oxygen plays a key role in the enhancement of negative thermal expansion.

Graphical abstract: Evidence of the enhanced negative thermal expansion in (1 − x)PbTiO3-xBi(Zn2/3Ta1/3)O3

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Article information


Submitted
30 Dec 2019
Accepted
06 Feb 2020
First published
07 Feb 2020

Inorg. Chem. Front., 2020, Advance Article
Article type
Research Article

Evidence of the enhanced negative thermal expansion in (1 − x)PbTiO3-xBi(Zn2/3Ta1/3)O3

T. Yang, K. Lin, Q. Li, Y. Wang, L. Gu, N. Wang, J. Deng, J. Chen and X. Xing, Inorg. Chem. Front., 2020, Advance Article , DOI: 10.1039/C9QI01694E

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