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Issue 32, 2019
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Magnetic domain-wall induced ferroelectric polarization in rare-earth orthoferrites AFeO3 (A = Lu, Y, Gd): first-principles calculations

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Abstract

The scarcity of materials with coexisting ferroelectric polarization and magnetization has hindered the development of multiferroic-based spintronic applications. Therefore, the generation of polarization in magnetic compounds is an important task in an effort to make single-phase multiferroic materials. Magnetic domain walls with strong discontinuities in spin ordering provide an ideal platform for the generation of polarization. In this work, we investigate spin-induced ferroelectric polarization at antiferromagnetic domain walls in the rare-earth orthoferrites AFeO3 (A = Lu, Y, Gd). We find that the ferroelectric polarization depends on the atomic radius of the rare-earth element, with the largest polarization of 0.092 μC cm−2 being realized in LuFeO3, which has the smallest rare-earth radius and the highest domain wall density along the b direction. Based on the octahedral distortion and the unified polarization model, we also perform a mechanistic analysis of the ferroelectric polarization at domain walls along the b direction. The different octahedral tilt angles and the different unit cell volumes caused by A-site ions are the main reasons for the polarization difference in the three compounds. Our results improve the theoretical understanding of magnetically induced ferroelectric polarization at domain walls and provide a basis for experimental application in spintronic devices based on domain wall multiferroicity.

Graphical abstract: Magnetic domain-wall induced ferroelectric polarization in rare-earth orthoferrites AFeO3 (A = Lu, Y, Gd): first-principles calculations

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Article information


Submitted
12 May 2019
Accepted
22 Jul 2019
First published
26 Jul 2019

J. Mater. Chem. C, 2019,7, 10059-10065
Article type
Paper

Magnetic domain-wall induced ferroelectric polarization in rare-earth orthoferrites AFeO3 (A = Lu, Y, Gd): first-principles calculations

W. Wang, W. Sun, G. Zhang, Z. Cheng and Y. Wang, J. Mater. Chem. C, 2019, 7, 10059
DOI: 10.1039/C9TC02501D

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