High pressure phases in highly piezoelectric Pb(Zr0.52Ti0.48)O3

Details High pressure phases in highly piezoelectric Pb(Zr0.52Ti0.48)O3 High pressure phases in highly piezoelectric Pb(Zr0.52Ti0.48)O3

2003-09-30

arxiv.org/abs/cond-mat/0309705v1

Phys. Rev. B 69, 020105 (2004)

Physics

Condensed Matter

REVTeX, 4 pages with 3 figures embedded. Figs 1 and 3 in color

Scientific paper

10.1103/PhysRevB.69.020105

Two novel room-temperature phase transitions are observed, via synchrotron x-ray diffraction and Raman spectroscopy, in the Pb(Zr0.52Ti0.48)O3 alloy under hydrostatic pressures up to 16 GPa. A monoclinic (M)-to-rhombohedral (R1) phase transition takes place around 2-3 GPa, while this R1 phase transforms into another rhombohedral phase, R2, at about 6-7 GPa. First-principles calculations assign the R3m and R3c symmetry to R1 and R2, respectively, and reveal that R2 acts as a pressure-induced structural bridge between the polar R3m and a predicted antiferrodistortive R-3c phase.

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