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Chemical Synthesis of Porous Barium Titanate Thin Film and Thermal Stabilization of Ferroelectric Phase by Porosity-Induced Strain
Published on: March 27, 2018
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Interplay between ferroelectricity and metallicity in BaTiO3.
Veronica F Michel1, Tobias Esswein1, Nicola A Spaldin1
1Materials Theory, Department of Materials, ETH Zürich Wolfgang-Pauli-Strasse 27 8093 Zürich Switzerland tobias.esswein@mat.ethz.ch.
Journal of Materials Chemistry. C
|August 6, 2021
Summary
Exploring ferroelectricity and metallicity in barium titanate (BaTiO3), this study reveals that doping generally suppresses ferroelectric polarization. The extent of this suppression depends on charge carrier type and impurity effects, influencing material properties.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Solid-State Chemistry
Background:
- Ferroelectricity and metallicity are typically opposing properties in materials.
- Barium titanate (BaTiO3) is a well-studied ferroelectric material.
- Understanding doping effects is crucial for tuning material functionalities.
Purpose of the Study:
- To investigate the combined effects of ferroelectricity and metallicity in BaTiO3.
- To determine how electron and hole doping impact ferroelectric polarization.
- To identify factors influencing ferroelectricity under doping.
Main Methods:
- Utilizing first-principles density functional theory (DFT) calculations.
- Simulating electron and hole doping via background charge and explicit impurity introduction.
- Analyzing changes in polarization and material structure.
Main Results:
- Both electron and hole doping generally reduce ferroelectric polarization in BaTiO3.
- A minor increase in polarization was observed at low hole concentrations.
- The degree of polarization suppression varies between electron and hole doping, linked to band structure.
- Impurity doping introduces structural, electronic, and volume/shape effects influencing ferroelectricity.
Conclusions:
- Doping introduces a complex interplay of factors affecting ferroelectricity in BaTiO3.
- The balance between structural and electronic effects dictates whether doping enhances or diminishes ferroelectricity.
- This research provides insights into controlling ferroelectric properties through doping.
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