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 and Caroline A. Ross ()
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Shuai Ning: Massachusetts Institute of Technology
Abinash Kumar: Massachusetts Institute of Technology
Konstantin Klyukin: Massachusetts Institute of Technology
Eunsoo Cho: Massachusetts Institute of Technology
Jong Heon Kim: Chungnam National University
Tingyu Su: Massachusetts Institute of Technology
Hyun-Suk Kim: Chungnam National University
James M. LeBeau: Massachusetts Institute of Technology
Bilge Yildiz: Massachusetts Institute of Technology
Caroline A. Ross: Massachusetts Institute of Technology

Nature Communications, 2021, vol. 12, issue 1, 1-7

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, YFeO3, 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 YFe 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.

Date: 2021
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DOI: 10.1038/s41467-021-24592-w

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