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Crystal Structure and Compressibility of Pb(Zr1−xTix)O3 Ceramics Under High Pressure

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X-ray diffraction patterns of Pb(Zr0.3Ti0.7)O3 and Pb(Zr0.7Ti0.3) O3 have been measured at pressures up to 36 GPa with good signal-to-noise ratio using synchrotron radiation. In order to refine the crystal structure, Rietveld analysis has been performed. The structure of Pb(Zr0.3Ti0.7)O3 is tetragonal in space group P4mm with lattice parameters a=b=3.9843±0.0003 Å and c= 4.1545±0.0003 Å at ambient pressure. A pressure-induced phase transition was found in the pressure range higher than ∼7.4 GPa at room temperature. The high-pressure phase is cubic in space group with lattice parameter a=3.9600±0.0003 Å at 7.4 GPa. The Birch–Murnaghan equation of state fit to the experimental data yields B0=83.9±1.7 GPa (B0=4.0 is fixed) for tetragonal phase and B0=102.5±4.4 GPa (B0=4.0 is fixed) for cubic phase with V0=65.95±0.01 Å3. The structure of Pb(Zr0.7Ti0.3)O3 is monoclinic in space group Cc with lattice parameters a=10.0627±0.0164 Å, b=5.8511±0.0024 Å, c= 5.7949±0.0020 Å, and =125.185±0.119 ° at ambient pressure. No pressure-induced phase transition for Pb(Zr0.7Ti0.3)O3 was observed over the pressure range of this study. The Birch–Murnaghan equation of state fit to the experimental data yields B0=73.6±18.9 GPa (B0=4.0 is fixed) with V0= 278.81±0.63 Å3.

Document Type: Research Article


Affiliations: 4-2-2, Agency for Defense Development, Yuseong, Daejeon 305-600, Korea

Publication date: June 1, 2010


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