自然键轨道
材料科学
相界
拉曼光谱
正交晶系
四方晶系
相变
兴奋剂
八面体
凝聚态物理
压电
离子半径
离子
铁电性
分析化学(期刊)
结晶学
相(物质)
晶体结构
化学
电介质
密度泛函理论
复合材料
物理
光学
计算化学
光电子学
有机化学
色谱法
作者
Liumao Tan,Yuanyu Wang
标识
DOI:10.1016/j.jpcs.2020.109797
摘要
Samples of Al-doped (1– x )K 0.5 Na 0.5 Nb 0.965 Sb 0.035 O 3 – x (Bi 0.82 Al 0.18 ) 0.5 Na 0.5 ZrO 3 [((1– x )KNNS– x BANZ)] ( x = 0.02, 0.03, 0.04, and 0.05) have been prepared by a conventional solid-state method. The results of XRD analysis suggest that the ceramics underwent a typical phase transition from orthorhombic (O) to tetragonal (T) as x was increased. According to the Raman shifts of key vibrational modes, lattice deformation and associated phase transition have been qualitatively deduced. Moreover, the ceramic with x = 0.05 exhibits enhanced piezoelectric properties compared with K 0.5 Na 0.5 NbO 3 due to an O-T phase boundary ( d 33 ≈ 258 pC/N and k p ≈ 0.40). More importantly, the mechanism through which small ions function in a KNN lattice, as well as the phase transition, is addressed herein. • The bending vibration of NbO 6 octahedra contributes to formation of a T phase at room temperature. • The many more polarization states in an O-T phase coexistence regime make a greater contribution to property enhancement than domain motion. • A large strain of about 0.13% (@30 kV/cm) was obtained for x = 0.05.
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