材料科学
锑
正交晶系
八面体
放松(心理学)
陶瓷
电介质
压电
反铁电性
铁电性
铌酸钾
相(物质)
相变
凝聚态物理
矿物学
晶体结构
结晶学
复合材料
光电子学
冶金
化学
心理学
社会心理学
物理
有机化学
作者
Nan Zhang,Xiang Lv,Xixiang Zhang,Jing Lyu,Shuo‐Wang Yang,Jiagang Wu
标识
DOI:10.1016/j.jmst.2021.11.033
摘要
Although the antimony (Sb) has been widely used to modify potassium sodium niobate (KNN) ceramics for tailoring the phase structure and performance, the role of Sb still remains insufficiently understood, consequently hindering the understanding of the physical origin of high-performance KNN-based ceramics. Here, we combine the experiments and first-principles calculations to deeply reveal the effects of Sb on KNN ceramics. Our results reveal a re-entrant-like relaxation behavior near the rhombohedral-orthorhombic (R-O) phase transition at the low content of Sb, which transforms into a canonical one at higher content of Sb. First-principles calculations show a significantly decreased difference in the bond length of six B-O bonds of NbO6 octahedral in Sb-modified KNN ceramics compared to pristine KNN ceramics, responsible for the low-temperature re-entrant-like dielectric relaxation. Furthermore, the addition of Sb would soften the B-O repulsion and gradually break the long-range ferroelectric ordering, resulting in the occurrence of nanoscale domains and enhanced local heterogeneity. Finally, we find that the optimized piezoelectric properties are the trade-off between the long-range ferroelectric ordering and the local heterogeneity. Therefore, this work not only deeply reveals the effects of Sb on KNN ceramics from multi-scale perspectives but also helps the future composition design for achieving high piezoelectricity.
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