Electric field control of Jahn-Teller distortions in bulk perovskites

Abstract

The Jahn-Teller distortion, by its very nature, is often at the heart of the various electronic properties displayed by perovskites and related materials. Despite the Jahn-Teller mode being non- polar in nature, we devise and demonstrate in the present letter an electric field control of Jahn-Teller distortions in bulk perovskites. The electric field control is enabled through an anharmonic lattice mode coupling between the Jahn-Teller distortion and a polar mode. We confirm this coupling, and explicitly an electric field effect, through first principles calculations. The coupling will always exist within the P b2 1 m space group, which is found to be the favoured ground state for various perovskites under sufficient tensile epitaxial strain. Intriguingly, the calculations reveal that this mechanism is not only restricted to Jahn-Teller active systems, promising a general route to tune or induce novel electronic functionality in perovskites as a whole.

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• Realizing Magnetoelectric Coupling with Hydroxide as a Knob
• Dependence of band gaps in d-electron perovskite oxides on magnetism
• Bandgap in orthorhombic thin lead halide perovskite (CsPbBr3) nanosheets measured from STEM-EELS
• Structural instabilities of infinite-layer nickelates from first-principles simulations
• The anti-symmetric and anisotropic symmetric exchange interactions between electric dipoles in hafnia
• Dielectric softening in the halide double perovskites $A_2$Au${}_2{X}_6$ ($A$: Cs, Rb; $X$: Cl, Br, I) via a strain-mediated pseudotriggered mechanism
• Rational Control of Magnonic and Electronic Band Splittings
• Stabilization of A-site ordered perovskites and formation of spin-half antiferromagnetic lattice: CaCu${}_3$Ti${}_4$O${}_{12}$ and CaCu${}_3$Zr${}_4$O${}_{12}$