Defect-driven switchable polarization in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msub> <mml:mi>SrTiO</mml:mi> <mml:mn>3</mml:mn> </mml:msub> </mml:math>

Perovskites with tunable and switchable polarization hold immense promise for unlocking novel functionalities. Using density-functional theory, we reveal that intrinsic defects can induce, enhance, and control polarization in nonferroelectric perovskites, with <a:math xmlns:a="http://www.w3.org/1998/Math/MathML"> <a:msub> <a:mi>SrTiO</a:mi> <a:mn>3</a:mn> </a:msub> </a:math> as our model system. At high defect concentrations, these systems exhibit strong spontaneous polarization—comparable to that of conventional ferroelectrics. Crucially, this polarization is switchable, enabled by the inherent symmetry-equivalence of defect sites in <b:math xmlns:b="http://www.w3.org/1998/Math/MathML"> <b:msub> <b:mi>SrTiO</b:mi> <b:mn>3</b:mn> </b:msub> </b:math> . Strikingly, polarization switching not only reverses the polarization direction and modulates its magnitude but also modifies the spatial distribution of localized defect states. This dynamic behavior points to unprecedented responses to external stimuli, opening new avenues for defect-engineered materials design.

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Publication Details

Journal
Physical Review Materials
Published
2025-11-25
DOI
https://doi.org/10.1103/7sd9-6gll
Primary Topic
Electronic and Structural Properties of Oxides
Type
article
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article

Defect-driven switchable polarization in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msub> <mml:mi>SrTiO</mml:mi> <mml:mn>3</mml:mn> </mml:msub> </mml:math>

Wahib Aggoune, Matthias Scheffler
Physical Review Materials
Electronic and Structural Properties of Oxides
article

Defect-driven switchable polarization in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msub> <mml:mi>SrTiO</mml:mi> <mml:mn>3</mml:mn> </mml:msub> </mml:math>

Wahib Aggoune, Matthias Scheffler
article en

Abstract

Perovskites with tunable and switchable polarization hold immense promise for unlocking novel functionalities. Using density-functional theory, we reveal that intrinsic defects can induce, enhance, and control polarization in nonferroelectric perovskites, with <a:math xmlns:a="http://www.w3.org/1998/Math/MathML"> <a:msub> <a:mi>SrTiO</a:mi> <a:mn>3</a:mn> </a:msub> </a:math> as our model system. At high defect concentrations, these systems exhibit strong spontaneous polarization—comparable to that of conventional ferroelectrics. Crucially, this polarization is switchable, enabled by the inherent symmetry-equivalence of defect sites in <b:math xmlns:b="http://www.w3.org/1998/Math/MathML"> <b:msub> <b:mi>SrTiO</b:mi> <b:mn>3</b:mn> </b:msub> </b:math> . Strikingly, polarization switching not only reverses the polarization direction and modulates its magnitude but also modifies the spatial distribution of localized defect states. This dynamic behavior points to unprecedented responses to external stimuli, opening new avenues for defect-engineered materials design.

Physical Review MaterialsVol. 9(11)
Fritz Haber Institute of the Max Planck Society (DE), Humboldt-Universität zu Berlin (DE)
Openalex Percentile: Top 70%
Electronic and Structural Properties of Oxides
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