自然键轨道
压电
材料科学
掺杂剂
陶瓷
兴奋剂
四方晶系
电介质
铁电性
相(物质)
纳米技术
化学物理
凝聚态物理
复合材料
密度泛函理论
结晶学
晶体结构
光电子学
化学
计算化学
物理
有机化学
作者
Xiaoyi Gao,Zhenxiang Cheng,Zibin Chen,Yao Liu,Xiangyu Meng,Xu Zhang,Jianli Wang,Qinghu Guo,Bei Li,Huajun Sun,Qinfen Gu,Hua Hao,Qiang Shen,Jinsong Wu,Xiaozhou Liao,Simon P. Ringer,Hanxing Liu,Lianmeng Zhang,Wen Chen,Fei Li,Shujun Zhang
标识
DOI:10.1038/s41467-021-21202-7
摘要
Abstract (K,Na)NbO 3 based ceramics are considered to be one of the most promising lead-free ferroelectrics replacing Pb(Zr,Ti)O 3 . Despite extensive studies over the last two decades, the mechanism for the enhanced piezoelectricity in multi-elements doped (K,Na)NbO 3 ceramics has not been fully understood. Here, we combine temperature-dependent synchrotron x-ray diffraction and property measurements, atomic-scale scanning transmission electron microscopy, and first-principle and phase-field calculations to establish the dopant–structure–property relationship for multi-elements doped (K,Na)NbO 3 ceramics. Our results indicate that the dopants induced tetragonal phase and the accompanying high-density nanoscale heterostructures with low-angle polar vectors are responsible for the high dielectric and piezoelectric properties. This work explains the mechanism of the high piezoelectricity recently achieved in (K,Na)NbO 3 ceramics and provides guidance for the design of high-performance ferroelectric ceramics, which is expected to benefit numerous functional materials.
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