Vacancy engineering for high tetragonal BaTiO3 synthesized by solid-state approaches

Xu, Huifeng1,2; Wang, Pengfei1; Luan, Saiwei1; Cheng, Lixia3; Fu, Zhenxiao4; Cao, Xiuhua4; Zhang, Lei1; Yu, Shuhui1; Sun, Rong1

2024-08-01

10.1016/j.powtec.2024.119955

POWDER TECHNOLOGY   影响因子和分区

0032-5910

1873-328X

Conventionally, tetragonality in BaTiO 3 powder is attributed to grain size, disregarding the role of Ba/Ti ratio. However, our study reveals a significant impact of Ba/Ti ratio on tetragonality in BaTiO 3 . With an increase in Ba/ Ti ratio from 0.990 to 1.010, particle size remains around 200 nm. Tetragonality initially rises from 1.006 to a maximum of 1.0092 at Ba/Ti = 1.000, then decreases to 1.005. Lower tetragonality is associated with Ba or Ti vacancies, using density functional theory (DFT), we analyzed the electron density and lattice distinction in BaTiO 3 powders. Both Ba and Ti vacancies affect lattice distortion, the Ti vacancies leading to more significant lattice expansion and lower tetragonality than Ba vacancies. Using this powder, we fabricated high -density BaTiO 3 ceramics and multi -layer ceramics capacitors (MLCCs) with X7R temperature stability (-55 to 125 degrees C, +/- 15% coefficient) and excellent reliability. This strategy has broad implications for tetragonal BaTiO 3 nanopowders and MLCCs development.

Ultra -fine BaTiO 3 powders Tetragonality Vacancy defect engineering Dielectric property High-performance MLCCs

SCI ; EI

英语

其他

National Key Research Program of China[2022YFB3807403] ; National Science Foundation of China[51802142] ; Natural Science Foundation of Guangdong Province[2022A1515012604] ; Natural Science Foundation of Jiangsu Province[BK20211231] ; Foundation of State Key Laboratory of New Electronic Components and Materials[FHR-JS-202011012] ; Joint Innovation Center of Advanced Electronic Components and Materials[FHR-JS-202103001]

Engineering

Engineering, Chemical

WOS:001261944600001

ELSEVIER

20242616441293

Barium ; Barium titanate ; Density functional theory ; Dielectric properties ; Lattice theory ; Particle size

Alkaline Earth Metals:549.2 ; Inorganic Compounds:804.2 ; Ceramics:812.1 ; Probability Theory:922.1 ; Mathematical Statistics:922.2 ; Physical Properties of Gases, Liquids and Solids:931.2 ; Atomic and Molecular Physics:931.3 ; Quantum Theory; Quantum Mechanics:931.4

CHEMISTRY

Web of Science

1.Chinese Acad Sci, Shenzhen Inst Adv Technol, Shenzhen Inst Adv Elect Mat, Shenzhen 518055, Peoples R China
2.Southern Univ Sci & Technol, Shenzhen 518055, Peoples R China
3.Huizhou Univ, Guangdong Prov Key Lab Elect Funct Mat & Devices, Huizhou 516001, Peoples R China
4.Guangdong Fenghua Adv Technol Holding Co Ltd, State Key Lab Adv Mat & Elect Components, Zhaoqing 526000, Peoples R China

Xu, Huifeng,Wang, Pengfei,Luan, Saiwei,et al. Vacancy engineering for high tetragonal BaTiO3 synthesized by solid-state approaches[J]. POWDER TECHNOLOGY,2024,444.

Xu, Huifeng.,Wang, Pengfei.,Luan, Saiwei.,Cheng, Lixia.,Fu, Zhenxiao.,...&Sun, Rong.(2024).Vacancy engineering for high tetragonal BaTiO3 synthesized by solid-state approaches.POWDER TECHNOLOGY,444.

Xu, Huifeng,et al."Vacancy engineering for high tetragonal BaTiO3 synthesized by solid-state approaches".POWDER TECHNOLOGY 444(2024).