正交晶系
自然键轨道
相界
结晶学
中子衍射
钙钛矿(结构)
材料科学
单斜晶系
相图
四方晶系
粉末衍射
相(物质)
固溶体
离子半径
分析化学(期刊)
晶体结构
化学
离子
密度泛函理论
计算化学
有机化学
冶金
色谱法
作者
Laijun Liu,Michael Knapp,Helmut Ehrenberg,Liang Fang,Ljubomira Ana Schmitt,Hartmut Fuess,Markus Hoelzel,Manuel Hinterstein
标识
DOI:10.1107/s1600576716002909
摘要
The phase diagram of the lead-free piezoelectric (1 − x )K 0.5 Na 0.5 NbO 3 – x Bi 1/2 Na 1/2 TiO 3 system has been studied by high-resolution synchrotron powder diffraction, neutron powder diffraction and selected area electron diffraction. The two lead-free piezoelectric materials K 0.5 Na 0.5 NbO 3 and Bi 1/2 Na 1/2 TiO 3 form an infinite substitution solid solution. The orthorhombic ( O ), monoclinic ( M ), tetragonal ( T ) and rhombohedral ( R ) phases and the phase coexistence of M ( Pm ) + T ( P 4 mm ) for 0.02 < x ≤ 0.14, T ( P 4 bm ) + pseudocubic (Pm{\overline 3}m) for 0.14 < x ≤ 0.87 and T ( P 4 bm ) + R ( R 3 c ) for 0.87 < x ≤ 0.96 have been investigated at room temperature, with a subtle change in the structure observed. The oxygen octahedral tilt system has been mapped as a function of composition and temperature. The results indicate that K 0.5 Na 0.5 NbO 3 –Bi 1/2 Na 1/2 TiO 3 does not display a morphotropic phase boundary like lead zirconate titanate, and that the most significant structural changes as a function of composition occur near x = 0.14 and x = 0.87 as a result of ionic disorder at the A and B sites in the perovskite AB O 3 structure at room temperature.
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