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Published on: March 24, 2019
Octahedral-Rotation-Induced, Antiferroelectric-like Double Hysteresis in Strained Perovskites
1Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota 55455, United States.
Antiferroelectric materials with double hysteresis loops are key for energy storage. This study reveals how oxygen octahedral rotations coupled with polarization in perovskites, like SrTiO3, create tunable, antiferroelectric-like behavior.
Area of Science:
- Condensed Matter Physics
- Materials Science
- Solid State Chemistry
Background:
- Antiferroelectric materials exhibit polar and antipolar order parameters, leading to double hysteresis loops beneficial for energy storage applications.
- Perovskite materials, such as Strontium Titanate (SrTiO3), are well-known for their ferroelectric and related properties.
Purpose of the Study:
- To investigate the coupling between oxygen octahedral rotations and polarization in perovskites.
- To analyze how this coupling influences polarization-voltage hysteresis behavior.
- To explore methods for tuning hysteresis behavior for potential applications.
Main Methods:
- Utilizing first-principles calculations to model material properties.
- Employing symmetry-adapted Landau-Ginzburg-Devonshire theory.
- Constructing an energy landscape to understand coupling effects.
Main Results:
- Demonstrated that tuning the relative strengths of polar and rotational instabilities can lead to nontrivial hysteresis.
- Showcased the impact of epitaxial strain and layering on hysteresis behavior.
- Confirmed that rotation coupling with polarization expands the material search space for antiferroelectric-like double hysteresis.
Conclusions:
- The coupling between oxygen octahedral rotations and polarization is a critical factor in determining hysteresis behavior in perovskites.
- Exploiting strain and layering offers a pathway to engineer materials with desired antiferroelectric-like properties.
- This research broadens the scope of materials exhibiting double hysteresis loops for advanced applications.
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