Understanding of role of Li in high-performance Pb-free Li-doped (Ba0.85Ca0.15)(Ti-0.9 Zr-0.1)O-3 piezoceramics from theory and experiments

doi:10.1016/j.matchemphys.2019.04.011

SIC OpenIR

	Understanding of role of Li in high-performance Pb-free Li-doped (Ba0.85Ca0.15)(Ti-0.9 Zr-0.1)O-3 piezoceramics from theory and experiments
	Chen, Xiaoming; Zeng, Jiangtao; Kim, Dokyun; Zheng, Liaoying; Lou, Qiwei; Park, Chul Hong; Li, Guorong
	2019-06-01
Source Publication	MATERIALS CHEMISTRY AND PHYSICS
ISSN	0254-0584
Volume	231 Pages:173
Subtype	Article
Abstract	The role of Li in the Li-doped (Ba0.85Ca0.15)(Ti0.9Zr0.1)O-3 (BCTZL-x) perovskite ceramic are investigated through the measurements of electrical, structural and ferroelectric properties, whose analysis is assisted by the first-principles atomic calculations. The results show that Li is expected to be located normally at A-site, but the excess of Li promotes the formation of B-site Li in the Li-rich condition, which are evidenced by (i) the increase of lattice constants and phase transition by Li-addition and (ii) the increase in the activation energy of the ionic conductivity, which is consistent with the strong interaction between B-site Li and O-V that is supported by the formation enthalpies and electronic structures of the various Li-driven states.
Keyword	Lead-free ceramics Activation energy Phase transitions Impurities First-principles calculations
DOI	10.1016/j.matchemphys.2019.04.011
Language	英语
WOS Research Area	Materials Science
Publisher	ELSEVIER SCIENCE SA
Citation statistics
Document Type	期刊论文
Identifier	http://ir.sic.ac.cn/handle/331005/27064
Collection	中国科学院上海硅酸盐研究所
Recommended Citation GB/T 7714	Chen, Xiaoming,Zeng, Jiangtao,Kim, Dokyun,et al. Understanding of role of Li in high-performance Pb-free Li-doped (Ba0.85Ca0.15)(Ti-0.9 Zr-0.1)O-3 piezoceramics from theory and experiments[J]. MATERIALS CHEMISTRY AND PHYSICS,2019,231:173.
APA	Chen, Xiaoming.,Zeng, Jiangtao.,Kim, Dokyun.,Zheng, Liaoying.,Lou, Qiwei.,...&Li, Guorong.(2019).Understanding of role of Li in high-performance Pb-free Li-doped (Ba0.85Ca0.15)(Ti-0.9 Zr-0.1)O-3 piezoceramics from theory and experiments.MATERIALS CHEMISTRY AND PHYSICS,231,173.
MLA	Chen, Xiaoming,et al."Understanding of role of Li in high-performance Pb-free Li-doped (Ba0.85Ca0.15)(Ti-0.9 Zr-0.1)O-3 piezoceramics from theory and experiments".MATERIALS CHEMISTRY AND PHYSICS 231(2019):173.

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