Solid State Ionics ( IF 3.2 ) Pub Date : 2024-01-20 , DOI: 10.1016/j.ssi.2023.116447 A.G. Asadov , A.I. Mammadov , D.P. Kozlenko , R.Z. Mehdiyeva , S.E. Kichanov , E.V. Lukin , O.N. Lis
We had investigated the pressure-induced phase transition phenomenon in the perovskite-like material Nd2Ti2O7 compound. The structural and vibrational properties of a layered Nd2Ti2O7 have been studied by means of X-ray diffraction and Raman spectroscopy at pressures up to 30 GPa. The gradual structural phase transition from the initial monoclinic P21 phase to the monoclinic P2 phase was observed at P ∼ 19 GPa. This pressure-induced phase transition is accompanied by anomalies in the pressure behavior of unit cell parameters and vibrational modes. The role of pressure application as a trigger for a significant rotation of the TiO6 octahedra, alterations in interatomic distances, and the displacement of Nd atoms were discussed.
中文翻译:
高压对层状钙钛矿型Nd2Ti2O7晶体结构和振动光谱的影响
我们研究了类钙钛矿材料Nd 2 Ti 2 O 7化合物中压力诱导的相变现象。通过X射线衍射和拉曼光谱在高达30 GPa的压力下研究了层状Nd 2 Ti 2 O 7的结构和振动特性。从最初的单斜晶系P2 1逐渐发生结构相变 单斜晶系P2相 在P ∼ 19 GPa下观察到相 。这种压力引起的相变伴随着晶胞参数和振动模式的压力行为异常。讨论了施加压力作为 TiO 6八面体显着旋转的触发因素、原子间距离的变化以及 Nd 原子位移的触发因素。