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<p>Pb(Zr<sub>0.5</sub>Ti<sub>0.5</sub>)O<sub>3</sub> ceramic was synthesized by a solid-state reaction method. X-ray diffraction with Rietveld refinement confirmed the coexistence of rhombohedral (<i>R</i>3<i>c</i>) and tetragonal (<i>P</i>4<i>mm</i>) phases at room temperature, consistent with compositions near the morphotropic phase boundary (MPB). Field-emission scanning electron microscopy (FE-SEM) revealed a dense, well-sintered microstructure with an average grain size of ~ 11&#xa0;µm. Dielectric and piezoelectric characterization demonstrated superior functional properties: a piezoelectric charge coefficient <i>d</i><sub>33</sub> =  515 pC/N, an electromechanical coupling factor <i>k</i>ₚ = 62%, and a remanent polarization <i>P</i>ᵣ = 32.06 µC/cm<sup>2</sup>. The material exhibits a high Curie temperature, <i>T</i><sub>C</sub> = 302.5℃, indicating good thermal stability of the ferroelectric phase. Charge density distribution analysis, obtained from experimentally refined structure factors, indicates pronounced Ti/Zr-O covalency within the perovskite lattice, which correlates with the enhanced piezoelectric response. These findings highlight the material’s suitability for high-performance piezoelectric applications.</p> Graphic Abstract <p></p>

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Structural, microstructural, and functional characterization of Pb(Zr0.5Ti0.5)O3 ceramics: Insights from charge density distribution analysis

  • 期刊论文

  • 发表日期：

    2026年5月7日

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  • Jeganathan Mangaiyarkkarasi,
  • Subramanian Sasikumar,
  • Dhanushkodi Sivaganesh,
  • Muhammad Habib,
  • Subramanian Saravanakumar,
  • S. Sonia

摘要

Pb(Zr0.5Ti0.5)O3 ceramic was synthesized by a solid-state reaction method. X-ray diffraction with Rietveld refinement confirmed the coexistence of rhombohedral (R3c) and tetragonal (P4mm) phases at room temperature, consistent with compositions near the morphotropic phase boundary (MPB). Field-emission scanning electron microscopy (FE-SEM) revealed a dense, well-sintered microstructure with an average grain size of ~ 11 µm. Dielectric and piezoelectric characterization demonstrated superior functional properties: a piezoelectric charge coefficient d33 =  515 pC/N, an electromechanical coupling factor kₚ = 62%, and a remanent polarization Pᵣ = 32.06 µC/cm2. The material exhibits a high Curie temperature, TC = 302.5℃, indicating good thermal stability of the ferroelectric phase. Charge density distribution analysis, obtained from experimentally refined structure factors, indicates pronounced Ti/Zr-O covalency within the perovskite lattice, which correlates with the enhanced piezoelectric response. These findings highlight the material’s suitability for high-performance piezoelectric applications.

Graphic Abstract