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Permissible domain walls in monoclinic MAB ferroelectric phases
1Department of Materials Science and Engineering, Tel Aviv University, Wolfson Building for Mechanical Engineering, Tel Aviv, 6997801, Israel.
Acta Crystallographica. Section A, Foundations and Advances
|December 7, 2023
Summary
This study formulates geometric laws for monoclinic ferroelectric domain microstructures in perovskite oxides. It identifies 84 permissible domain walls, enhancing understanding of these complex structures for materials science applications.
Area of Science:
- Crystallography and Materials Science
- Solid-state physics and ferroelectricity
Background:
- Monoclinic ferroelectric phases are crucial for understanding ferroelectric materials, particularly perovskite oxides.
- These phases, especially at morphotropic phase boundaries, are linked to enhanced dielectric and electromechanical properties.
- The complex domain microstructures within these phases are not well understood.
Purpose of the Study:
- To establish the geometrical principles governing monoclinic domain microstructures in ferroelectric perovskite oxides.
- To catalog and characterize permissible domain walls connecting monoclinic (MA/MB type) strain domains.
- To provide analytical expressions for domain wall orientation and diffraction peak separation.
Main Methods:
- Implementation of previous work [Gorfman et al. (2022)] to analyze domain walls.
- Classification of domain walls based on lattice mismatch ('permissible' domain walls [Fousek & Janovec (1969)]).
- Derivation of analytical expressions for domain wall orientation using monoclinic distortion parameters.
Main Results:
- Identified 12 monoclinic domains forming pairs connected by 84 types of permissible domain walls.
- Categorized these into 48 fixed-index (W-walls) and 36 variable-index (S-walls).
- Provided expressions for domain wall orientation, transformation matrices, and Bragg peak separation.
Conclusions:
- The geometrical laws for monoclinic domain microstructures have been formulated.
- This work provides a framework for understanding and investigating complex domain structures.
- Facilitates experimental studies, such as X-ray diffraction, on ferroelectric crystals and thin films.
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