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Switchable Polarization in an A-Site Deficient Perovskite through Vacancy and Cation Engineering.

Suguru Yoshida1, Olivier Hernandez2, Jinsuke Miyake3

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|January 24, 2026
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This summary is machine-generated.

Defect-ordered perovskites, like Y1/3TaO3, can achieve room-temperature ferroelectricity by controlling structural instabilities. This defect engineering strategy enhances polarization and offers a pathway for novel functional materials.

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Area of Science:

  • Materials Science
  • Solid-State Physics
  • Crystallography

Background:

  • Crystal defects are often detrimental but can be engineered for functionality.
  • Perovskites with ordered vacancies can exhibit complex structural instabilities.

Purpose of the Study:

  • To demonstrate room-temperature ferroelectricity in an A-site-deficient perovskite Y1/3TaO3.
  • To investigate the role of ordered vacancies and octahedral rotations in inducing ferroelectric polarization.
  • To explore strategies for enhancing polarization in defect-ordered materials.

Main Methods:

  • Compositional selection to favor specific structural instabilities.
  • Superspace analysis of modulated crystal structures.
  • Lattice-dynamics calculations to predict material properties.

Main Results:

  • Y1/3TaO3 exhibits switching-like polarization at room temperature in the P b 2 1 m phase.
  • Ordered vacancies and TaO6 octahedral rotations enable ferroelectric response.
  • A phase transition to a paraelectric incommensurate phase occurs at ~750 K.
  • Epitaxial strain is predicted to further enhance room-temperature polarization.

Conclusions:

  • Defect ordering in perovskites can circumvent centrosymmetric states and induce ferroelectricity.
  • The Y1/3TaO3 system demonstrates a viable strategy for achieving enhanced polarization.
  • This defect-engineering approach is generalizable to other improper ferroelectrics and multiferroics.