Structural distortion induced Dzyaloshinskii–Moriya interaction in monolayer CrI3 at heterostructures

The magnetic heterostructures provide flexible ways to realize particular magnetic properties that possess both scientific and practical significance. Here, by first-principles calculation, we predict strong Dzyaloshinskii–Moriya interactions (DMIs) by constructing CrI _3 /Metal heterostructures. Th...

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Main Authors: Hongxing Li, Wei-Bing Zhang, Guanghui Zhou
Format: Article
Language:English
Published: IOP Publishing 2023-01-01
Series:New Journal of Physics
Subjects:
Online Access:https://doi.org/10.1088/1367-2630/ace8b5
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author Hongxing Li
Wei-Bing Zhang
Guanghui Zhou
author_facet Hongxing Li
Wei-Bing Zhang
Guanghui Zhou
author_sort Hongxing Li
collection DOAJ
description The magnetic heterostructures provide flexible ways to realize particular magnetic properties that possess both scientific and practical significance. Here, by first-principles calculation, we predict strong Dzyaloshinskii–Moriya interactions (DMIs) by constructing CrI _3 /Metal heterostructures. The underlaying mechanisms are ascribed to the large spin-orbital coupling (SOC) of the I atom and the structural distortion in CrI _3 layer caused by substrates. This is different from the traditional way that deposit magnetic films on substrate to generate DMI, wherein DMI is dominated by interlayer hybridization and large SOC of substrates. In addition, both Heisenberg exchange and magnetic anisotropy are modulated dramatically, such as Heisenberg exchange is nearly doubled on Au(111), and the out-of-plane magnetism is enhanced by 88% on Ir(111). Our work may provide a experimentally accessible strategy to induce DMI in layered magnetic materials, which will be helpful to the design of spintronics devices.
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spelling doaj.art-2e17878438fb4382a4f78a4468782fb52023-08-09T14:16:41ZengIOP PublishingNew Journal of Physics1367-26302023-01-0125808300210.1088/1367-2630/ace8b5Structural distortion induced Dzyaloshinskii–Moriya interaction in monolayer CrI3 at heterostructuresHongxing Li0https://orcid.org/0000-0002-6232-3038Wei-Bing Zhang1https://orcid.org/0000-0003-1306-4540Guanghui Zhou2https://orcid.org/0000-0002-1536-3440Hunan Provincial Key Laboratory of Flexible Electronic Materials Genome Engineering, School of Physics and Electronic Sciences, Changsha University of Science and Technology , Changsha 410114, People’s Republic of ChinaHunan Provincial Key Laboratory of Flexible Electronic Materials Genome Engineering, School of Physics and Electronic Sciences, Changsha University of Science and Technology , Changsha 410114, People’s Republic of ChinaDepartment of Physics, Key Laboratory for Low-Dimensional Quantum Structures and Quantum Control (Ministry of Education), and Synergetic Innovation Center for Quantum Effects and Applications, Hunan Normal University , Changsha 410081, People’s Republic of ChinaThe magnetic heterostructures provide flexible ways to realize particular magnetic properties that possess both scientific and practical significance. Here, by first-principles calculation, we predict strong Dzyaloshinskii–Moriya interactions (DMIs) by constructing CrI _3 /Metal heterostructures. The underlaying mechanisms are ascribed to the large spin-orbital coupling (SOC) of the I atom and the structural distortion in CrI _3 layer caused by substrates. This is different from the traditional way that deposit magnetic films on substrate to generate DMI, wherein DMI is dominated by interlayer hybridization and large SOC of substrates. In addition, both Heisenberg exchange and magnetic anisotropy are modulated dramatically, such as Heisenberg exchange is nearly doubled on Au(111), and the out-of-plane magnetism is enhanced by 88% on Ir(111). Our work may provide a experimentally accessible strategy to induce DMI in layered magnetic materials, which will be helpful to the design of spintronics devices.https://doi.org/10.1088/1367-2630/ace8b5density functional theorytwo-dimensional magentismDzyaloshinskii–Moriya interaction
spellingShingle Hongxing Li
Wei-Bing Zhang
Guanghui Zhou
Structural distortion induced Dzyaloshinskii–Moriya interaction in monolayer CrI3 at heterostructures
New Journal of Physics
density functional theory
two-dimensional magentism
Dzyaloshinskii–Moriya interaction
title Structural distortion induced Dzyaloshinskii–Moriya interaction in monolayer CrI3 at heterostructures
title_full Structural distortion induced Dzyaloshinskii–Moriya interaction in monolayer CrI3 at heterostructures
title_fullStr Structural distortion induced Dzyaloshinskii–Moriya interaction in monolayer CrI3 at heterostructures
title_full_unstemmed Structural distortion induced Dzyaloshinskii–Moriya interaction in monolayer CrI3 at heterostructures
title_short Structural distortion induced Dzyaloshinskii–Moriya interaction in monolayer CrI3 at heterostructures
title_sort structural distortion induced dzyaloshinskii moriya interaction in monolayer cri3 at heterostructures
topic density functional theory
two-dimensional magentism
Dzyaloshinskii–Moriya interaction
url https://doi.org/10.1088/1367-2630/ace8b5
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AT guanghuizhou structuraldistortioninduceddzyaloshinskiimoriyainteractioninmonolayercri3atheterostructures