文献类型：期刊文献

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

作者：Chen, Xiaoming Zeng, Jiangtao Kim, Dokyun Zheng, Liaoying Lou, Qiwei Hong Park, Chul Li, Guorong

第一作者：陈小明;Chen, Xiaoming

通信作者：Hong Park, Chul

机构：[1] Key Laboratory of Inorganic Functional Materials and Devices, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai, 200050, China; [2] School of Materials and Metallurgical Engineering, Guizhou Institute of Technology, Guiyang, 550003, China; [3] Department of Physics Education, Pusan National University, Pusan, 609735, Korea, Republic of

第一机构：Key Laboratory of Inorganic Functional Materials and Devices, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai, 200050, China

通信机构：Department of Physics Education, Pusan National University, Pusan, 609735, South Korea

年份：2019

卷号：231

起止页码：173-180

外文期刊名：Materials Chemistry and Physics

收录：EI(收录号：20191706818417);Scopus(收录号：2-s2.0-85064501419)

语种：英文

外文关键词：Activation energy - Calculations - Electronic structure - Impurities - Lattice constants - Perovskite - Phase transitions - Piezoelectric ceramics

摘要：The role of Li in the Li-doped (Ba0.85Ca0.15)(Ti0.9Zr0.1)O3 (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 OV that is supported by the formation enthalpies and electronic structures of the various Li-driven states. ? 2019