论文标题
M2AGF4（M = Na，K，Rb）化合物的相变和非晶化化合物在高压下
Phase transitions and amorphization of M2AgF4 (M = Na, K, Rb) compounds at high pressure
论文作者
论文摘要
我们报告了与该系列K成员相关的与理论和X射线衍射研究相关的碱金属氟燃料（M2AGF4，M = Na，K，Rb）的拉曼光谱研究结果。理论密度的功能计算预测K2AGF4的两个结构相变：一个来自低压单斜p21/c（beta）相，到6 GPA处的中间压室i4！2D结构，另一种是高压三精素p1！相位为58 GPA。然而，拉曼光谱和X射线衍射数据表明，K2AGF4的多态性形式以及研究的其他两个氟化相都在低至几个GPA的压力下经常进行非晶化。
We report the results of Raman spectroscopy high-pressure studies of alkali metal fluoroargentates (M2AgF4, where M=Na, K, Rb) associated with theoretical and x-ray diffraction studies for the K member of the series. Theoretical density functional calculations predict two structural phase transitions for K2AgF4: one from low pressure monoclinic P21/c (beta) phase to intermediate-pressure tetragonal I4!2d structure at 6 GPa, and another to high-pressure triclinic P1! phase at 58 GPa. However, Raman spectroscopy and X-ray diffraction data indicate that both polymorphic forms of K2AgF4 as well as two other fluoroargentate phases studied undergo amorphization at pressure as low as several GPa.
