Pressure-induced phase transitions in AgClO4

Abstract

AgClO4 has been studied under compression by x-ray diffraction and density functional theory calculations. Experimental evidence of a structural phase transition from the tetragonal structure of AgClO4 to an orthorhombic barite-type structure has been found at 5.1 GPa. The transition is supported by total-energy calculations. In addition, a second transition to a monoclinic structure is theoretically proposed to take place beyond 17 GPa. The equation of state of the different phases is reported as well as the calculated Raman-active phonons and their pressure evolution. Finally, we provide a description of all the structures of AgClO4 and discuss their relationships. The structures are also compared with those of AgCl in order to explain the structural sequence determined for AgClO4.

38 pages, 11 figures, 4 tables

References in corpus (6)

• Pressure effects on the structural and electronic properties of ABX4 scintillating crystals
• Determination of the high-pressure crystal structure of BaWO4 and PbWO4
• High-pressure x-ray diffraction study of SrMoO4 and pressure-induced structural changes
• High-pressure x-ray diffraction and ab initio study of Ni2Mo3N, Pd2Mo3N, Pt2Mo3N, Co3Mo3N, and Fe3Mo3N: Two families of ultra-incompressible bimetallic interstitial nitrides
• High-pressure structural phase transitions in CuWO4
• Experimental and theoretical investigations on ThGeO4 at high pressure