Journal of Materiomics ( IF 8.4 ) Pub Date : 2023-08-05 , DOI: 10.1016/j.jmat.2023.07.004 Kai Dai , Anyang Cui , Yafang Li , Zhen Liu , Yuting Yan , Kai Jiang , Jinzhong Zhang , Liyan Shang , Liangqing Zhu , Yawei Li , Genshui Wang , Zhigao Hu
The external pressure is one of the essential parameters for regulating the structure and energy conversion properties of antiferroelectric AgNbO3. For pure AgNbO3, however, there has been still a blank of its real lattice structure under the stress field. Here, high-pressure lattice structures and phase transitions of AgNbO3 have been explored by spectroscopic experiments and theoretical models. A successive phase transition process from Pbcm to C2221 to P21 has been observed at the pressure range of 0–30 GPa, associated with displacive-type characterized by soft-mode kinetics. Note that the paraelectric phase cannot be achieved under high-pressure at room temperature. Significantly, the competition of long-range Coulomb force, short-range interatomic interaction, and covalent interaction in AgNbO3 lattice were demonstrated under the stress field. The present work can provide fundamental guidelines to reveal the high-pressure phase transitions of AgNbO3, which will open up possibilities for the designing device with functional properties at extremes.
中文翻译:
AgNbO3 的高压相界
外部压力是调节反铁电AgNbO 3结构和能量转换性能的重要参数之一。然而,对于纯AgNbO 3,其在应力场下的真实晶格结构仍然存在空白。在这里,通过光谱实验和理论模型探索了AgNbO 3的高压晶格结构和相变。从 Pbcm 到 C222 1到 P2 1的连续相变过程在 0-30 GPa 的压力范围内观察到,与以软模式动力学为特征的位移型相关。请注意,在室温高压下无法实现顺电相。值得注意的是,在应力场下, AgNbO 3晶格中长程库仑力、短程原子间相互作用和共价相互作用的竞争得到了体现。目前的工作可以为揭示AgNbO 3的高压相变提供基本指导,这将为设计具有极端功能特性的器件开辟可能性。