锆钛酸铅（PZT）压电陶瓷具有高压电性和高居里温度等优点，被广泛用于声学换能器制备。但PZT压电陶瓷机械品质因数较低，在高频率、高功率和微型化应用领域存在瓶颈。相关研究表明，相似结构多组分物质混合掺杂的PZT基压电陶瓷，在其准同型相变边界处能获得优异的综合性能。本项目拟制备高品质Fe、Nb共掺三元系PZT基压电陶瓷，开展掺杂和高温相变调控研究，重点基于高压连续调控相变下材料微观结构原位表征方法，运用金刚石对顶砧控压、原位高压拉曼光谱和同步辐射等手段，研究其高压相变调控规律。综合三种相变调控研究结果，分析三元系PZT基压电陶瓷宏观性能与相变的关联演变机制。同时采用密度泛函理论仿真研究其相变调控中晶格常数、电荷密度、电偶极矩等关键参量变化规律，进而理论与实验相结合阐释三元系PZT基压电陶瓷相变调控机理。本项研究对高性能PZT基压电陶瓷设计具有重要意义，对推动声学技术应用与发展具有较高价值。

Lead zirconate titanate (PZT) piezoelectric ceramics are widely applied in the fabrication of acoustic transducers due to the high piezoelectricity and Curie temperature. However, the low mechanical quality factor limits the application of PZT piezoelectric ceramics at the fields of high frequency, high power and miniaturization. Related researches show that PZT-based piezoelectric ceramics doped with multi-component materials of similar structure can obtain excellent piezoelectric performance and mechanical quality at the morphotropic phase boundary. This project intends to fabricate high-quality Fe and Nb co-doped ternary PZT-based piezoelectric ceramics, and doping and high-temperature phase transition will be studied. Especially, based on the advantages of in-situ microstructure real-time characterization of the high-pressure phase transition control method, the diamond to anvil clamping, in-situ high-pressure Raman spectroscopy and synchrotron radiation will be used to study the law of high-pressure phase transition of the ceramics.. Synthesizing the above research results, the correlation evolution mechanism of the ternary PZT-based piezoelectric ceramics macroscopic properties and phase transition will be analyzed comparatively. Finally, density functional theory simulation will be adopted to investigate the change law of lattice constant, charge density, and electric dipole moment of piezoelectric ceramics in the phase transition controlled by high voltage, doping and high temperature, and further analyze the phase transition mechanism of ternary PZT-base piezoelectric ceramics by comparing theory and experiment. This research is of great significance to the design of high-quality PZT-based piezoelectric ceramics and has a high value to promote the application and development of acoustic technology