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An antisite defect mechanism for room temperature ferroelectricity in orthoferrites

Shuai Ning, Abinash Kumar, Konstantin Klyukin, Eunsoo Cho, Jong Heon Kim, Tingyu Su, Hyun-Suk Kim, James M. LeBeau, Bilge Yildiz, Caroline A. Ross

2021Nature Communications57 citationsDOIOpen Access PDF

Abstract

Abstract Single-phase multiferroic materials that allow the coexistence of ferroelectric and magnetic ordering above room temperature are highly desirable, motivating an ongoing search for mechanisms for unconventional ferroelectricity in magnetic oxides. Here, we report an antisite defect mechanism for room temperature ferroelectricity in epitaxial thin films of yttrium orthoferrite, YFeO 3 , a perovskite-structured canted antiferromagnet. A combination of piezoresponse force microscopy, atomically resolved elemental mapping with aberration corrected scanning transmission electron microscopy and density functional theory calculations reveals that the presence of Y Fe antisite defects facilitates a non-centrosymmetric distortion promoting ferroelectricity. This mechanism is predicted to work analogously for other rare earth orthoferrites, with a dependence of the polarization on the radius of the rare earth cation. Our work uncovers the distinctive role of antisite defects in providing a mechanism for ferroelectricity in a range of magnetic orthoferrites and further augments the functionality of this family of complex oxides for multiferroic applications.

Topics & Concepts

MultiferroicsFerroelectricityMaterials scienceCondensed matter physicsPiezoresponse force microscopyYttriumPolarization (electrochemistry)Scanning transmission electron microscopyDensity functional theoryMagnetic momentMechanism (biology)Thin filmFerromagnetismEpitaxyTransmission electron microscopyWork (physics)Perovskite (structure)Atmospheric temperature rangeCrystallographic defectHybrid functionalMultiferroics and related materialsMagnetic Properties and Synthesis of FerritesLayered Double Hydroxides Synthesis and Applications