Abstract
The 134-type -site ordered , that belongs to the family of perovskites, with cubic structure and magnetically driven improper polarization is puzzling because the conventional mechanisms leading to the creation of polarization in type-II multiferroics do not apply. By symmetry analysis and first-principles simulations, we discover an original and previously overlooked energetic term that naturally explains the origin of improper polarization in . In addition, we demonstrate the existence of three other energetic invariants in perovskites, for which other physical quantities (such as oxygen tiltings or shear strain) mediate the interaction between -type antiferromagnetic vectors to create and even enhance improper polarization.
- Received 4 February 2020
- Accepted 11 June 2020
DOI:https://doi.org/10.1103/PhysRevB.101.214441
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