1. Mixed anion control of enhanced negative thermal expansion in the oxysulfide of PbTiO3
- Author
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Pan, Zhao, Liang, Zhengli, Wang, Xiao, Fang, Yue-Wen, Ye, Xubin, Liu, Zhehong, Nishikubo, Takumi, Sakai, Yuki, Shen, Xi, Liu, Qiumin, Kawaguchi, Shogo, Zhan, Fei, Fan, Longlong, Wang, Yong-Yang, Ma, Chen-Yan, Jiang, Xingxing, Lin, Zheshuai, Yu, Richeng, Xing, Xianran, Azuma, Masaki, and Long, Youwen
- Subjects
Condensed Matter - Materials Science ,Physics - Applied Physics - Abstract
The rare physical property of negative thermal expansion (NTE) is intriguing because materials with large NTE over a wide temperature range can serve as high-performance thermal expansion compensators. However, applications of NTE are hindered by the fact that most of the available NTE materials show small magnitudes of NTE, and/or NTE occurs only in a narrow temperature range. Herein, for the first time, we investigated the effect of anion substitution instead of general Pb/Ti-site substitutions on the thermal expansion properties of a typical ferroelectric NTE material, PbTiO3. Intriguingly, the substitution of S for O in PbTiO3 further increases the tetragonality of PbTiO3. Consequently, an unusually enhanced NTE with an average volumetric coefficient of thermal expansion $\bar{\alpha}_V$ = -2.50 $\times$ 10$^{-5}$/K was achieved over a wide temperature range (300 -- 790 K), which is contrasted to that of pristine PbTiO3 ($\bar{\alpha}_V$ = -1.99 $\times$ 10$^{-5}$/K RT -- 763 K). The intensified NTE is attributed to the enhanced hybridization between Pb/Ti and O/S atoms by the substitution of S, as evidenced by our theoretical investigations. We therefore demonstrate a new technique for introducing mixed anions to achieve large NTE over a wide temperature range in PbTiO3-based ferroelectrics., Comment: 14 pages, 4 figures
- Published
- 2025
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