Understanding of role of Li in high-performance Pb-free Li-doped (Ba0.85Ca0.15)(Ti0.9 Zr0.1)O3 piezoceramics from theory and experiments

被引：14

作者：

Chen, Xiaoming ^{[1
,2
]}

Zeng, Jiangtao ^{[1
]}

Kim, Dokyun ^{[3
]}

Zheng, Liaoying ^{[1
]}

Lou, Qiwei ^{[1
]}

Park, Chul Hong ^{[3
]}

Li, Guorong ^{[1
]}

机构：

[1] Chinese Acad Sci, Shanghai Inst Ceram, Key Lab Inorgan Funct Mat & Devices, Shanghai 200050, Peoples R China

[2] Guizhou Inst Technol, Sch Mat & Met Engn, Guiyang 550003, Guizhou, Peoples R China

[3] Pusan Natl Univ, Dept Phys Educ, Pusan 609735, South Korea

来源：

MATERIALS CHEMISTRY AND PHYSICS | 2019年 / 231卷

基金：

对外科技合作项目（国际科技项目）; 中国国家自然科学基金; 新加坡国家研究基金会;

关键词：

Lead-free ceramics; Activation energy; Phase transitions; Impurities; First-principles calculations; PIEZOELECTRIC PROPERTIES; ELECTROMECHANICAL PROPERTIES; DIELECTRIC-PROPERTIES; PHASE-TRANSITION; CERAMICS; TEMPERATURE; PROSPECTS; BATIO3;

D O I：

10.1016/j.matchemphys.2019.04.011

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

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.

引用

页码：173 / 180

页数：8

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