The role of spontaneous polarization in the negative thermal expansion of tetragonal PbTiO3-based compounds

Article

Chen, Jun, Nittala, Krishna, Forrester, Jennifer S., Jones, Jacob L., Deng, Jinxia, Yu, Ranbo and Xing, Xianran. 2011. "The role of spontaneous polarization in the negative thermal expansion of tetragonal PbTiO3-based compounds." Journal of the American Chemical Society. 133 (29), pp. 11114-11117. https://doi.org/10.1021/ja2046292
Article Title

The role of spontaneous polarization in the negative thermal expansion of tetragonal PbTiO3-based compounds

ERA Journal ID1359
Article CategoryArticle
AuthorsChen, Jun (Author), Nittala, Krishna (Author), Forrester, Jennifer S. (Author), Jones, Jacob L. (Author), Deng, Jinxia (Author), Yu, Ranbo (Author) and Xing, Xianran (Author)
Journal TitleJournal of the American Chemical Society
Journal Citation133 (29), pp. 11114-11117
Number of Pages4
Year2011
Place of PublicationUnited States
ISSN0002-7863
1520-5126
Digital Object Identifier (DOI)https://doi.org/10.1021/ja2046292
Web Address (URL)http://pubs.acs.org/doi/abs/10.1021/ja2046292
Abstract

PbTiO3-based compounds are well-known ferroelectrics that exhibit a negative thermal expansion more or less in the tetragonal phase. The mechanism of negative thermal expansion has been studied by high-temperature neutron powder diffraction performed on two representative compounds, 0.7PbTiO3 - 0.3BiFeO3 and 0.7PbTiO3 - 0.3Bi(Zn1/2Ti1/2)O3, whose negative thermal expansion is contrarily enhanced and weakened, respectively. With increasing temperature up to the Curie temperature, the spontaneous polarization displacement of Pb/Bi (|zPb/Bi) is weakened in 0.7PbTiO3 - 0.3BiFeO3 but well-maintained in 0.7PbTiO3 - 0.3Bi(Zn1/2Ti1/2)O3. There is an apparent correlation between tetragonality (c/a) and spontaneous polarization. Direct experimental evidence indicates that the spontaneous polarization originating from Pb/Bi - O hybridization is strongly associated with the negative thermal expansion. This mechanism can be used as a guide for the future design of negative thermal expansion of phase-transforming oxides.

KeywordsExperimental evidence; Future designs; High temperature; Negative thermal expansion; Representative compound; Spontaneous polarizations; Tetragonal phase; Tetragonality; General; Zinc and Alloys; Fluid Flow; Electromagnetic Waves in Different Media; Organic Compounds; Materials Science; Clinical and Experimental Biochemistry;
ANZSRC Field of Research 2020340699. Physical chemistry not elsewhere classified
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Byline AffiliationsUniversity of Science and Technology Beijing, China
University of Florida, United States
Institution of OriginUniversity of Southern Queensland
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Wang, You, Wang, Yun, Chen, Jun, Deng, Jinxia, Yu, Ranbo and Xing, Xianran. 2015. "Nd1-xCaxFeO3 (x = 0, 0.3) hollow core-shell microspheres for ethanol gas sensing." European Journal of Inorganic Chemistry. 2015 (35), pp. 5767-5772. https://doi.org/10.1002/ejic.201500869
Multi-shelled LiMn2O4 hollow microspheres as superior cathode materials for lithium-ion batteries
Wang, Feng, Wang, Jiangyan, Ren, Hao, Tang, Hongjie, Yu, Ranbo and Wang, Dan. 2016. "Multi-shelled LiMn2O4 hollow microspheres as superior cathode materials for lithium-ion batteries." Inorganic Chemistry Frontiers. 3 (3), pp. 365-369. https://doi.org/10.1039/c5qi00213c
Phase transformation and negative thermal expansion in TaVO5
Wang, Xiaowei, Huang, Qingzhen, Deng, Jinxia, Yu, Ranbo, Chen, Jun and Xing, Xianran. 2011. "Phase transformation and negative thermal expansion in TaVO5." Inorganic Chemistry: including bioinorganic chemistry. 50 (6), pp. 2685-2690. https://doi.org/10.1021/ic200003n
Facile solvothermal synthesis of gear-shaped submicrostructured Y2O3:Eu 3+ phosphor
Yan, Xuecheng, Yu, Ranbo, Wang, Dan, Deng, Jinxia, Chen, Jun and Xing, Xianran. 2011. "Facile solvothermal synthesis of gear-shaped submicrostructured Y2O3:Eu 3+ phosphor." Solid State Sciences. 13 (5), pp. 1060-1064. https://doi.org/10.1016/j.solidstatesciences.2011.01.019
Facile molten salt synthesis of ordered perovskite Ba(Sr 1/3Nb 2/3)O3 powders
Deng, Jinxia, Li, Lihong, Chen, Jun, Yu, Ranbo and Xing, Xianran. 2012. "Facile molten salt synthesis of ordered perovskite Ba(Sr 1/3Nb 2/3)O3 powders." Inorganic Chemistry Communications. 21, pp. 92-95. https://doi.org/10.1016/j.inoche.2012.04.021
Morphology-tailored synthesis of flower-like Y 2O 3:Eu3+ microspheres
Yan, Xuecheng, Yu, Ranbo, Xu, Yali, Li, Li, Xu, Pengfei, Wang, Dan, Deng, Jinxia, Chen, Jun and Xing, Xianran. 2012. "Morphology-tailored synthesis of flower-like Y 2O 3:Eu3+ microspheres." Materials Research Bulletin. 47 (9), pp. 2135-2139. https://doi.org/10.1016/j.materresbull.2012.06.013
Rapid molten salt synthesis of isotropic negative thermal expansion ScF3
Hu, Lei, Chen, Jun, Fan, Longlong, Deng, Jinxia, Yu, Ranbo and Xing, Xianran. 2014. "Rapid molten salt synthesis of isotropic negative thermal expansion ScF3." Journal of the American Ceramic Society. 97 (4), pp. 1009-1011. https://doi.org/10.1111/jace.12855
Large-scale synthesis of isotropic single-crystalline ScF3 cubes by hydrothermal method
Hu, Lei, Chen, Jun, Pan, Zhao, Deng, Jinxia, Yu, Ranbo and Xing, Xianran. 2014. "Large-scale synthesis of isotropic single-crystalline ScF3 cubes by hydrothermal method." Journal of the American Ceramic Society. 97 (5), pp. 1386-1388. https://doi.org/10.1111/jace.12932
Zero thermal expansion and ferromagnetism in cubic sc1-xMxF3 (M = Ga, Fe) over a wide temperature range
Hu, Lei, Chen, Jun, Fan, Longlong, Ren, Yang, Rong, Yangchun, Pan, Zhao, Deng, Jinxia, Yu, Ranbo and Xing, Xianran. 2014. "Zero thermal expansion and ferromagnetism in cubic sc1-xMxF3 (M = Ga, Fe) over a wide temperature range." Journal of the American Chemical Society. 136 (39), pp. 13566-13569. https://doi.org/10.1021/ja5077487
Controlled synthesis and properties of porous Cu/CeO2 microspheres
Yao, Xiang, Yang, Xiaodan, Yu, Ranbo, Xu, Pengfei, Chen, Jun and Xing, Xianran. 2015. "Controlled synthesis and properties of porous Cu/CeO2 microspheres." Materials Research Bulletin. 61, pp. 22-25. https://doi.org/10.1016/j.materresbull.2014.09.083
Controllable assembly of CeO2 micro/nanospheres with adjustable size and their application in Cr(VI) adsorption
Sun, Jiajia, Wang, Chengrui, Zeng, Li, Xu, Pengfei, Yang, Xiaodan, Chen, Jun, Xing, Xianran, Jin, Quan and Yu, Ranbo. 2016. "Controllable assembly of CeO2 micro/nanospheres with adjustable size and their application in Cr(VI) adsorption." Materials Research Bulletin. 75, pp. 110-114. https://doi.org/10.1016/j.materresbull.2015.11.035
N,N-dimethylformamide-induced synthesis and photoluminescence of CePO4 and Ce0.95PO4:Tb0.05 with sphere-like nanostructures
Bao, Jinrong, Zhu, Xiaowei, Liu, Ying, Li, Wenxian and Yu, Ranbo. 2014. "N,N-dimethylformamide-induced synthesis and photoluminescence of CePO4 and Ce0.95PO4:Tb0.05 with sphere-like nanostructures." Materials Letters. 124, pp. 97-100. https://doi.org/10.1016/j.matlet.2014.03.014
Microstructure construction and composition modification of CeO2 macrospheres with superior performance
Jiang, Shuaiyu, Yang, Xiaodan, Chen, Jun, Xing, Xianran, Wang, Lianzhou and Yu, Ranbo. 2016. "Microstructure construction and composition modification of CeO2 macrospheres with superior performance." Inorganic Chemistry Frontiers. 3 (1), pp. 92-96. https://doi.org/10.1039/c5qi00140d
Bismuth oxychloride hollow microspheres with high visible light photocatalytic activity
Cui, Pengzhen, Wang, Jiali, Wang, Zumin, Chen, Jun, Xing, Xianran, Wang, Lianzhou and Yu, Ranbo. 2016. "Bismuth oxychloride hollow microspheres with high visible light photocatalytic activity." Nano Research. 9 (3), pp. 593-601. https://doi.org/10.1007/s12274-015-0939-z
A novel and highly efficient photocatalyst based on P 25- graphdiyne nanocomposite
Wang, Shuo, Yi, Luoxin, Halpert, Jonathan E., Lai, Xiaoyong, Liu, Yuanyuan, Cao, Hongbin, Wang, Dan, Yu, Ranbo and Li, Yuliang. 2012. "A novel and highly efficient photocatalyst based on P 25- graphdiyne nanocomposite." Small. 8 (2), pp. 265-271. https://doi.org/10.1002/smll.201101686
Study on the controllable scale-up growth of vertically-aligned carbon nanotube arrays
Ge, Lei, Chen, Jiuling, Chen, Jun, Zhu, Zhonghua and Rudolph, Victor. 2012. "Study on the controllable scale-up growth of vertically-aligned carbon nanotube arrays." Journal of Nanoscience and Nanotechnology. 12 (3), pp. 2722-2732. https://doi.org/10.1166/jnn.2012.5726
Embeddable and locatable spinning
Xu, Weilin, Xia, Zhigang, Wang, Xin, Chen, Jun, Cui, Weigang, Ye, Wenxiang, Ding, Cailing and Wang, Xungai. 2011. "Embeddable and locatable spinning." Textile Research Journal. 81 (3), pp. 223-229. https://doi.org/10.1177/0040517510380780