Polar octahedral rotations: a path to new multifunctional materials

Abstract

Perovskite ABO${}_3$ oxides display an amazing variety of phenomena that can be altered by subtle changes in the chemistry and internal structure, making them a favorite class of materials to explore the rational design of novel properties. Here we highlight a recent advance in which rotations of the BO${}_6$ octahedra give rise to a novel form of ferroelectricity -- hybrid improper ferroelectricity. Octahedral rotations also strongly influence other structural, magnetic, orbital, and electronic degrees of freedom in perovskites and related materials. Octahedral rotation-driven ferroelectricity consequently has the potential to robustly control emergent phenomena with an applied electric field. The concept of `functional' octahedral rotations is introduced and the challenges for materials chemistry and the possibilities for new rotation-driven phenomena in multifunctional materials are explored.

Accepted for publication in Journal of Solid State Chemistry special issue on Polar Inorganic Materials

References in corpus (8)

• Structure and properties of functional oxide thin films: Insights from electronic-structure calculations
• Octahedral rotation-induced ferroelectricity in cation ordered perovskites
• The High Temperature Phase Transitions of Hexagonal YMnO3
• Origin of ferroelectricity in the multiferroic barium fluorides BaMF4
• Electric-field switchable magnetization via the Dzyaloshinskii-Moriya interaction: FeTiO_3 versus BiFeO_3
• Frustration of tilts and A-site driven ferroelectricity in KNbO_3-LiNbO_3 alloys
• Symmetry Analysis for the Ruddlesden-Popper Systems, Ca3Mn2O7 and Ca3Ti2O7
• Ab initio study of proper topological ferroelectricity in layered perovskite La2Ti2O7

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