Pressure-induced phase transitions in AgClO_ {4}

Physical review. B, Condensed matter (Impact Factor: 3.66). 04/2012; 84(6). DOI: 10.1103/PhysRevB.84.064103

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.

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    ABSTRACT: Room-temperature angle-dispersive x-ray diffraction measurements on zircon-type TbVO and CeVO were performed in a diamond-anvil cell up to 50 GPa using neon as a pressure-transmitting medium. In TbVO, we found at 6.4 GPa evidence of a nonreversible pressure-induced structural phase transition from zircon to a scheelite-type structure. A second transition to an M-fergusonite-type structure was found at 33.9 GPa, which is reversible. Zircon-type CeVO exhibits two pressure-induced transitions: first, an irreversible transition to a monazite-type structure at 5.6 GPa and, second, at 14.7 GPa, a reversible transition to an orthorhombic structure. No additional phase transitions or evidences of chemical decomposition are found in the experiments. The equations of state and axial compressibility for the different phases are also determined. Finally, the sequence of structural transitions and the compressibilities are discussed in comparison with other orhtovanadates and the influence of nonhydrostaticity commented.
    Physical Review B 01/2012; · 3.66 Impact Factor

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