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Main Authors: Pan, Weiyi, Chen, Zefeng, Wu, Dezhao, Zhu, Weiqin, Xu, Zhiming, Li, Lianchuang, Feng, Junsheng, Gu, Bing-Lin, Duan, Wenhui, Xu, Changsong
Format: Preprint
Published: 2025
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Online Access:https://arxiv.org/abs/2502.16442
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author Pan, Weiyi
Chen, Zefeng
Wu, Dezhao
Zhu, Weiqin
Xu, Zhiming
Li, Lianchuang
Feng, Junsheng
Gu, Bing-Lin
Duan, Wenhui
Xu, Changsong
author_facet Pan, Weiyi
Chen, Zefeng
Wu, Dezhao
Zhu, Weiqin
Xu, Zhiming
Li, Lianchuang
Feng, Junsheng
Gu, Bing-Lin
Duan, Wenhui
Xu, Changsong
contents Type-II multiferroics, where spin order induces ferroelectricity, exhibit strong magnetoelectric coupling. However, for the typical 2D type-II multiferroic NiI$_2$, the underlying magnetoelectric mechanism remains unclear. Here, applying generalized spin-current model, together with first-principles calculations and a tight-binding approach, we build a comprehensive magnetoelectric model for spin-induced polarization. Such model reveals that the spin-orbit coupling extends its influence to the third-nearest neighbors, whose contribution to polarization rivals that of the first-nearest neighbors. By analyzing the orbital-resolved contributions to polarization, our tight-binding model reveals that the long-range magnetoelectric coupling is enabled by the strong $e_g$-$p$ hopping of NiI$_2$. Monte Carlo simulations further predict a Bloch-type magnetic skyrmion lattice at moderate magnetic fields, accompanied by polar vortex arrays. These findings can guide the discovery and design of strongly magnetoelectric multiferroics.
format Preprint
id arxiv_https___arxiv_org_abs_2502_16442
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Long-Range Spin-Orbit-Coupled Magnetoelectricity in Type-II Multiferroic NiI$_2$
Pan, Weiyi
Chen, Zefeng
Wu, Dezhao
Zhu, Weiqin
Xu, Zhiming
Li, Lianchuang
Feng, Junsheng
Gu, Bing-Lin
Duan, Wenhui
Xu, Changsong
Materials Science
Type-II multiferroics, where spin order induces ferroelectricity, exhibit strong magnetoelectric coupling. However, for the typical 2D type-II multiferroic NiI$_2$, the underlying magnetoelectric mechanism remains unclear. Here, applying generalized spin-current model, together with first-principles calculations and a tight-binding approach, we build a comprehensive magnetoelectric model for spin-induced polarization. Such model reveals that the spin-orbit coupling extends its influence to the third-nearest neighbors, whose contribution to polarization rivals that of the first-nearest neighbors. By analyzing the orbital-resolved contributions to polarization, our tight-binding model reveals that the long-range magnetoelectric coupling is enabled by the strong $e_g$-$p$ hopping of NiI$_2$. Monte Carlo simulations further predict a Bloch-type magnetic skyrmion lattice at moderate magnetic fields, accompanied by polar vortex arrays. These findings can guide the discovery and design of strongly magnetoelectric multiferroics.
title Long-Range Spin-Orbit-Coupled Magnetoelectricity in Type-II Multiferroic NiI$_2$
topic Materials Science
url https://arxiv.org/abs/2502.16442