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：13
|
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：
新加坡国家研究基金会; 中国国家自然科学基金; 对外科技合作项目（国际科技项目）;
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
收藏
页码：173 / 180
页数：8
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