Why Are There So Few Perovskite Ferroelectrics
By N. Benedek, C. Fennie. 2013
433 citations recorded by the source corpus.
We use a combination of symmetry arguments and first-principles calculations to explore the connection between structural distortions and ferroelectricity in the perovskite family of materials. We explain the role of octahedral rotations in suppressing ferroelectricity in these materials and show that, as the tolerance factor decreases, rotations alone cannot fully suppress ferroelectricity. Our results show that it is cation displacements (“hidden” in Glazer notation) that accompany the rotations, rather than the rotations themselves, that play the decisive role in suppressing ferroelectricity in these cases. We use the knowledge gained in our analysis of this problem to explain the origin of ferroelectricity in R3c materials such as FeTiO3 and ZnSnO3 and to suggest strategies for the design and synthesis of new perovskite ferroelectrics. Our results have implications not only for the fundamental crystal chemistry of the perovskites but also for the discovery of new functional materials.
Subfields: Condensed Matter Physics, Electronic, Optical and Magnetic Materials, Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/7789ecffdbaba00518b83b7ddb55e629bdfe1dad
How researchers see this paper
The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.
In Condensed Matter Physics
In Electronic, Optical and Magnetic Materials
In Materials Chemistry
Citations in the corpus
- Direct Observation of Dynamic Symmetry Breaking above Room Temperature in Methylammonium Lead Iodide Perovskite (2016, neutral): “8 In cesium lead halides, the order is reversed, 17 likely due to a di ff erent coupling mechanism of Cs + to the M 3+ and R 4+ modes.”
- Multiferroic materials and magnetoelectric physics: symmetry, entanglement, excitation, and topology (2015, background): “In perovskites, the rotation and tilting of oxide octahedra are ubiquitous, which usually suppress the ferroelectricity [133].”