Pressure-induced phase transitions in AgClO4

Details Pressure-induced phase transitions in AgClO4 Pressure-induced phase transitions in AgClO4

2012-04-19

arxiv.org/abs/1204.4335v1

Physical Review B 84, 064103 (2011)

Physics

Condensed Matter

Materials Science

38 pages, 11 figures, 4 tables

Scientific paper

10.1103/PhysRevB.84.064103

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.

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