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Hole doping as an efficient route to increase the Curie temperature in monolayer CrI3

dc.creatorOrozović, Marko
dc.creatorŠoškić, Božidar N.
dc.creatorPicozzi, Silvia
dc.creatorŠljivančanin, Željko
dc.creatorStavrić, Srđan
dc.date.accessioned2026-02-02T07:41:11Z
dc.date.available2026-02-02T07:41:11Z
dc.date.issued2025
dc.identifier.issn2053-1583
dc.identifier.urihttps://vinar.vin.bg.ac.rs/handle/123456789/16107
dc.description.abstractTwo-dimensional van der Waals (vdW) magnets offer unprecedented opportunities to control magnetism at the atomic scale. Through charge carrier doping-realized by electrostatic gating, intercalation/adsorption, or interfacial charge transfer-one can efficiently tune exchange interactions and spin-orbit-induced effects in these systems. In this work, through a multi-scale theoretical framework combining density functional theory, spin Hamiltonian modeling, and Wannierfunction analysis, we choose monolayer CrI3 to unravel how carrier doping affects the isotropic as well as anisotropic exchange interactions in this prototypical vdW ferromagnet. The remarkable efficiency of hole doping in enhancing ferromagnetic exchange and magnetic anisotropy found in our study was explained through orbital-resolved analysis. Crucially, we demonstrated that unlike the undoped system-where isotropic exchange interactions govern magnetic long-range order- the hole-doped CrI3 exhibits anisotropic terms comparable in magnitude to isotropic ones. In particular, the magnetic anisotropy energy increases from 0.65 meV in undoped to 4.43 meV in strongly hole-doped CrI3, with the second-neighbor Dzyaloshinskii-Moriya interaction increasing from 0.12 meV to 2.01 meV. Finally, we show that a high concentration of holes can increase the Curie temperature from 56 K all the way up to 228 K. This work advances our understanding of doping-controlled magnetism in semiconducting 2D materials, demonstrating how anisotropy engineering can stabilize high-temperature magnetic order.en
dc.language.isoen
dc.relationinfo:eu-repo/grantAgreement/MESTD/inst-2020/200017/RS//
dc.relationMinistry of Education, Science, and Innovation of Montenegro
dc.relationNext-Generation EU programme PRIN-2022 project ‘SORBET: Spin-ORBit Effects in Two-dimensional magnets’ (IT MIUR grant no. 2022ZY8HJY)
dc.relationVan der Waals Heterostructures for Altermagnetic Spintronics
dc.rightsrestrictedAccess
dc.source2d Materials
dc.subject2D magnetismen
dc.subjectanisotropic exchangeen
dc.subjectcarrier dopingen
dc.subjectCrI3en
dc.subjectspin Hamiltonianen
dc.titleHole doping as an efficient route to increase the Curie temperature in monolayer CrI3en
dc.typearticleen
dc.rights.licenseARR
dc.citation.volume12
dc.citation.issue4
dc.citation.spage45025
dc.identifier.doi10.1088/2053-1583/ae1512
dc.citation.rankM21
dc.type.versionpublishedVersion
dc.identifier.scopus2-s2.0-105028444736


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