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Main Authors: Liu, Nanshu, Wang, Cong, Yan, Changlin, Xu, Changsong, Hu, Jun, Zhang, Yanning, Ji, Wei
Format: Preprint
Published: 2022
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Online Access:https://arxiv.org/abs/2211.14423
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_version_ 1866911900972875776
author Liu, Nanshu
Wang, Cong
Yan, Changlin
Xu, Changsong
Hu, Jun
Zhang, Yanning
Ji, Wei
author_facet Liu, Nanshu
Wang, Cong
Yan, Changlin
Xu, Changsong
Hu, Jun
Zhang, Yanning
Ji, Wei
contents A recent experiment reported type-II multiferroicity in monolayer (ML) NiI$_{2}$ based on a presumed spiral magnetic configuration (Spiral-B), which is, as we found here, under debate in the ML limit. Freestanding ML NiI$_{2}$ breaks its C$_{3}$ symmetry, as it prefers a striped antiferromagnetic order (AABB-AFM) along with an intralayer antiferroelectric (AFE) order. However, substrate confinement may preserve the C$_{3}$ symmetry and/or apply tensile strain to the ML. This leads to another spiral magnetic order (Spiral-$IV^X$), while 2L shows a different order (Spiral-$V^Y$) and Spiral-B dominates in thicker layers. Thus, three multiferroic phases, namely, Spiral-B+FE, Spiral-$IV^X$ +FE, Spiral-$V^Y$+FE, and an anti-multiferroic AABB-AFM+AFE one, show layer-thickness-dependent and geometry-dependent dominance, ascribed to competitions among thickness-dependent Kitaev, biquadratic, and Heisenberg spin-exchange interactions and single-ion magnetic anisotropy. Our theoretical results clarify the debate on the multiferroicity of ML NiI$_{2}$ and shed light on the role of layer-stacking-induced changes in noncollinear spin-exchange interactions and magnetic anisotropy in thickness-dependent magnetism.
format Preprint
id arxiv_https___arxiv_org_abs_2211_14423
institution arXiv
publishDate 2022
record_format arxiv
spellingShingle Competing multiferroic phases in monolayer and few-layer NiI$_{2}$
Liu, Nanshu
Wang, Cong
Yan, Changlin
Xu, Changsong
Hu, Jun
Zhang, Yanning
Ji, Wei
Materials Science
Mesoscale and Nanoscale Physics
A recent experiment reported type-II multiferroicity in monolayer (ML) NiI$_{2}$ based on a presumed spiral magnetic configuration (Spiral-B), which is, as we found here, under debate in the ML limit. Freestanding ML NiI$_{2}$ breaks its C$_{3}$ symmetry, as it prefers a striped antiferromagnetic order (AABB-AFM) along with an intralayer antiferroelectric (AFE) order. However, substrate confinement may preserve the C$_{3}$ symmetry and/or apply tensile strain to the ML. This leads to another spiral magnetic order (Spiral-$IV^X$), while 2L shows a different order (Spiral-$V^Y$) and Spiral-B dominates in thicker layers. Thus, three multiferroic phases, namely, Spiral-B+FE, Spiral-$IV^X$ +FE, Spiral-$V^Y$+FE, and an anti-multiferroic AABB-AFM+AFE one, show layer-thickness-dependent and geometry-dependent dominance, ascribed to competitions among thickness-dependent Kitaev, biquadratic, and Heisenberg spin-exchange interactions and single-ion magnetic anisotropy. Our theoretical results clarify the debate on the multiferroicity of ML NiI$_{2}$ and shed light on the role of layer-stacking-induced changes in noncollinear spin-exchange interactions and magnetic anisotropy in thickness-dependent magnetism.
title Competing multiferroic phases in monolayer and few-layer NiI$_{2}$
topic Materials Science
Mesoscale and Nanoscale Physics
url https://arxiv.org/abs/2211.14423