Diffusion and defect chemistry of temperature-stable BaTiO3-based ceramics: Experiment and theoretical calculations

Cheng，Xu1; Zhen，Yi Chao1; Xiao，Mengjian1; Zhao，Peiyao1; Hui，Kezhen1; Zhang，Weichen1; Jiang，Ying1; Guo，Limin2; Fu，Zhenxiao3; Cao，Xiuhua3; Wang，Hong4; Wang，Xiaohui1

2025

10.1016/j.jeurceramsoc.2024.116825

Journal of the European Ceramic Society   影响因子和分区

0955-2219

1873-619X

The ion diffusion and defect chemistry are the key factors in constructing the core-shell structure and improving the dielectric properties in temperature-stable BaTiO-based dielectric ceramics. In this work, the BaTiO-based ceramics doped with various rare-earth (RE) elements are prepared via the chemical coating method. The metal vacancy assisted A-B jumping migration path is confirmed as the main migration mechanism, where larger RE ions migrate faster and facilitate grain growth. About ∼1 mol% of amphoteric rare-earth ions are necessary to trap the oxygen vacancies and increase the activation energy and depolarized temperature. The electron paramagnetic resonance and thermodynamic model reveals that Mn is not detected in all samples and the content of Mn is determined by the Fermi level of the systems, influenced by the donor/acceptor doping, concentrations, and oxygen partial pressure. This work provides support for the rational design of dielectric materials with excellent dielectric performance and good reliability.

BaTiO3 Defect chemistry Ion diffusion

英语

通讯

MATERIALS SCIENCE

2-s2.0-85201415850

Scopus

1.State Key Lab of New Ceramics and Fine Processing,School of Materials Science and Engineering,Tsinghua University,Beijing,100084,China
2.School of Science,Beijing University of Posts and Telecommunications,Beijing,100876,China
3.State Key Laboratory of Advanced Materials and Electronic Components,Guangdong Fenghua Advanced Technology Holding Co.,Ltd,Zhaoqing,526000,China
4.Department of Materials Science and Engineering,Southern University of Science and Technology,Shenzhen,518055,China

Cheng，Xu,Zhen，Yi Chao,Xiao，Mengjian,et al. Diffusion and defect chemistry of temperature-stable BaTiO3-based ceramics: Experiment and theoretical calculations[J]. Journal of the European Ceramic Society,2025,45(1).

Cheng，Xu.,Zhen，Yi Chao.,Xiao，Mengjian.,Zhao，Peiyao.,Hui，Kezhen.,...&Wang，Xiaohui.(2025).Diffusion and defect chemistry of temperature-stable BaTiO3-based ceramics: Experiment and theoretical calculations.Journal of the European Ceramic Society,45(1).

Cheng，Xu,et al."Diffusion and defect chemistry of temperature-stable BaTiO3-based ceramics: Experiment and theoretical calculations".Journal of the European Ceramic Society 45.1(2025).