Semi-empirical estimation for enhancing negative thermal expansion in PbTiO<sub>3</sub>-based perovskites

Tao Yang; Longlong Fan; Yilin Wang; Kun Lin; Jun Chen; Xianran Xing

doi:10.1007/s12613-021-2390-3

Volume 29 Issue 4

Apr. 2022

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Article Navigation > International Journal of Minerals, Metallurgy and Materials > 2022 > 29(4): 783-786

Tao Yang, Longlong Fan, Yilin Wang, Kun Lin, Jun Chen, and Xianran Xing, Semi-empirical estimation for enhancing negative thermal expansion in PbTiO₃-based perovskites, Int. J. Miner. Metall. Mater., 29(2022), No. 4, pp. 783-786. https://doi.org/10.1007/s12613-021-2390-3

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Tao Yang, Longlong Fan, Yilin Wang, Kun Lin, Jun Chen, and Xianran Xing, Semi-empirical estimation for enhancing negative thermal expansion in PbTiO3-based perovskites, Int. J. Miner. Metall. Mater., 29(2022), No. 4, pp. 783-786. https://doi.org/10.1007/s12613-021-2390-3

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Semi-empirical estimation for enhancing negative thermal expansion in PbTiO₃-based perovskites

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Corresponding author:
Xianran Xing E-mail: xing@ustb.edu.cn
Received: 1 September 2021; Revised: 14 November 2021; Accepted: 30 November 2021; Available online: 3 December 2021

Abstract

Abstract

Generally, most materials expand when heated and contract when cooled, whereas negative thermal expansion (NTE) materials are very rare. As a typical NTE material, PbTiO₃ and related compounds have drawn particular interest in recent years. The discovery of an enhanced NTE system in PbTiO₃ is beneficial to deepen our understanding of its mechanism and regulate its properties. At present, the method of discriminating an enhanced NTE material based on PbTiO₃ is not universal. Here, we propose a semi-empirical method through evaluating the average lattice distortion in related systems to estimate the relative coefficient of thermal expansion conveniently. The rationality of the method was verified by the analysis of the 0.6PbTiO₃–0.4Bi(Ga_xFe_1−x)O₃ system. So far, all PbTiO₃-based compounds with enhanced NTE conform well to this method. This method provides the possibility to find more enhanced NTE PbTiO₃-based materials.
- enhanced negative thermal expansion;
- crystal structure;
- lead titanate;
- spontaneous polarization

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References

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