Phase Transitions and Amorphization of M2AgF4 (M = Na, K, Rb) Compounds at High Pressure

Abstract

We report the results of high-pressure Raman spectroscopy studies of alkali metal fluoroargentates (M2AgF4, where M = Na, K, Rb) combined 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 I42d 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 here, undergo amorphization at pressures as low as several GPa.