Pressure- and temperature-induced transformation processes in PbTiO3−BiMeO3 ferroelectrics

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2025
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  • The structural response to high pressures as well as to high temperatures of (1−)⁢PbTiO3−⁢Bi⁡(Zn0.5⁢Ti0.5)⁢O3 with =0.08, (1−)⁢PbTiO3−⁢Bi⁡(Mg0.5⁢Ti0.5)⁢O3 with =0.17, and PbTiO3 single crystals was studied by in situ pressure-/temperature-dependent polarized Raman spectroscopy, complemented by synchrotron x-ray diffraction analysis at ambient pressure and different temperatures. The compositional and pressure dependencies of phonon anomalies indicate the existence of local-scale antiferrodistortive structural entities inside the perovskite (ABO3) polar tetragonal matrix, the fraction of which is enhanced by the substitution of Bi⁢⁢⁢O3 for PbTiO3. The type of cation (Zn2+ versus Mg2+) replacing Ti4+ at the B site affects the coherence within the dominant single-perovskite polar tetragonal matrix and the coupling between the “defect” double-perovskite antiferrodistortive entities. As a result, on increasing pressure, the partial substitution of Bi⁡(Mg0.5⁢Ti0.5)⁢O3 triggers a structural instability at lower pressure values as compared to pure PbTiO3, whereas that of Bi⁡(Zn0.5⁢Ti0.5)⁢O3 preserves the polar tetragonal phase over a wider pressure range. Furthermore, at ambient pressure B-site Zn2+ favors the coherence between local BO6 tetragonal distortions already above the Curie temperature , causing a larger unit-cell tetragonality below ; in contrast, B-site Mg2+ reduces the local BO6 anisotropy and disturbs the correlation between polar AO12 tetragonal distortions below , which results in a considerable reduction of both the unit-cell tetragonality and accumulated volume strain on cooling between and room temperature.
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  • info:eu-repo/semantics/closedAccess
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Forschungsinformationssystem der UHH

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