A monoclinic ferroelectric phase in the Pb(Zr1-xTix)O3 solid solution

B. Noheda (1); D. E. Cox (1); G. Shirane (1); J. A. Gonzalo (2); L. E. Cross (3); NY. (2) U.A.M.; PA.); S-E. Park (3). ((1) Brookhaven National Laboratory; Spain. (3) The Pennsylvania State University

A monoclinic ferroelectric phase in the Pb(Zr1-xTix)O3 solid solution

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arxiv cond-mat/9903007 v5 pith:6RBMGVHF submitted 1999-02-27 cond-mat.mtrl-sci

B. Noheda (1) , D. E. Cox (1) , G. Shirane (1) , J. A. Gonzalo (2) , L. E. Cross (3) , S-E. Park (3). ((1) Brookhaven National Laboratory , NY. (2) U.A.M. , Spain. (3) The Pennsylvania State University

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keywords monoclinicphasesymmetryferroelectricsamplea2fmambientaxis

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A previously unreported ferroelectric phase has been revealed on a highly homogeneous sample of Pb(Zr0.52Ti0.48)O3 by high-resolution synchrotron x-ray powder diffraction measurements. At ambient temperature the sample has tetragonal symmetry (at= 4.037 A, ct= 4.138 A), and transforms below ~250 K into a phase which, unexpectedly, has monoclinic symmetry (am= 5.717 A, bm= 5.703 A, cm= 4.143 A, beta= 90.53 deg., at 20K). The intensity data strongly indicate that the polar axis lies in the monoclinic ac plane close to the pseudo-cubic [111] direction, which would be an example of the species m3m(12)A2Fm predicted on symmetry grounds by Shuvalov.

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Symmetry-Adapted Physical and Vibrational Properties of Ferroelectric Perovskite Oxides: Application to PbZrxTi1-xO3
cond-mat.mtrl-sci 2026-07 conditional novelty 3.0 of 10

A symmetry-based analysis of PZT shows that its tetragonal-to-rhombohedral transition appears in powder Raman spectra as continuous intensity redistribution rather than new modes.

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