Tailoring the properties of the 2D ferromagnet CrSBr by lanthanide doping

The increasing fascination with 2D van der Waals (vdW) magnetic materials arises from their distinctive properties and promising applications in spintronics, magnonics, and quantum information technologies. Among them, CrSBr is a semiconductor that stands out owing to its high Curie temperature ( T...

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Main Authors: Sourav Dey, Dorye L Esteras, José J Baldoví
Format: Article
Language:English
Published: IOP Publishing 2025-01-01
Series:JPhys Materials
Subjects:
Online Access:https://doi.org/10.1088/2515-7639/adc3cd
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author Sourav Dey
Dorye L Esteras
José J Baldoví
author_facet Sourav Dey
Dorye L Esteras
José J Baldoví
author_sort Sourav Dey
collection DOAJ
description The increasing fascination with 2D van der Waals (vdW) magnetic materials arises from their distinctive properties and promising applications in spintronics, magnonics, and quantum information technologies. Among them, CrSBr is a semiconductor that stands out owing to its high Curie temperature ( T _C ∼ 146 K), air stability and tunable electronic and magnetic properties. Here, we present a systematic investigation of the effects of Dy doping (12.5%, 25%, and 50%) on the structural, electronic and magnetic properties of CrSBr monolayer. Our results reveal that Dy incorporation enhances magnetic anisotropy and modulates T _C that arise from strong ferromagnetic and weak antiferromagnetic interactions. Additionally, we investigate the properties of DySBr, DySI and DySeI monolayers, which are isostructural to the CrSBr. Our results reveal the feasibility of exfoliating them down to the single layer and the presence of long-range magnetic order at low temperatures, relying on the combination of both weak exchange interactions and large spin-orbit coupling. This work provides insights into tuning the properties of CrSBr through rare earth doping, unlocking new possibilities for advanced applications at the 2D limit.
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spelling doaj-art-e2fbd8a86d02470bb9cebb085710f09c2025-08-20T01:55:52ZengIOP PublishingJPhys Materials2515-76392025-01-018202501310.1088/2515-7639/adc3cdTailoring the properties of the 2D ferromagnet CrSBr by lanthanide dopingSourav Dey0https://orcid.org/0000-0003-2310-688XDorye L Esteras1https://orcid.org/0000-0002-5430-3619José J Baldoví2https://orcid.org/0000-0002-2277-3974Instituto de Ciencia Molecular (ICMol) , Universitat de Valencia Catedrático José Beltrán, 2, Paterna 46980, SpainInstituto de Ciencia Molecular (ICMol) , Universitat de Valencia Catedrático José Beltrán, 2, Paterna 46980, SpainInstituto de Ciencia Molecular (ICMol) , Universitat de Valencia Catedrático José Beltrán, 2, Paterna 46980, SpainThe increasing fascination with 2D van der Waals (vdW) magnetic materials arises from their distinctive properties and promising applications in spintronics, magnonics, and quantum information technologies. Among them, CrSBr is a semiconductor that stands out owing to its high Curie temperature ( T _C ∼ 146 K), air stability and tunable electronic and magnetic properties. Here, we present a systematic investigation of the effects of Dy doping (12.5%, 25%, and 50%) on the structural, electronic and magnetic properties of CrSBr monolayer. Our results reveal that Dy incorporation enhances magnetic anisotropy and modulates T _C that arise from strong ferromagnetic and weak antiferromagnetic interactions. Additionally, we investigate the properties of DySBr, DySI and DySeI monolayers, which are isostructural to the CrSBr. Our results reveal the feasibility of exfoliating them down to the single layer and the presence of long-range magnetic order at low temperatures, relying on the combination of both weak exchange interactions and large spin-orbit coupling. This work provides insights into tuning the properties of CrSBr through rare earth doping, unlocking new possibilities for advanced applications at the 2D limit.https://doi.org/10.1088/2515-7639/adc3cd2D materials2D magnetismlanthanidesdensity functional theorymagnonics
spellingShingle Sourav Dey
Dorye L Esteras
José J Baldoví
Tailoring the properties of the 2D ferromagnet CrSBr by lanthanide doping
JPhys Materials
2D materials
2D magnetism
lanthanides
density functional theory
magnonics
title Tailoring the properties of the 2D ferromagnet CrSBr by lanthanide doping
title_full Tailoring the properties of the 2D ferromagnet CrSBr by lanthanide doping
title_fullStr Tailoring the properties of the 2D ferromagnet CrSBr by lanthanide doping
title_full_unstemmed Tailoring the properties of the 2D ferromagnet CrSBr by lanthanide doping
title_short Tailoring the properties of the 2D ferromagnet CrSBr by lanthanide doping
title_sort tailoring the properties of the 2d ferromagnet crsbr by lanthanide doping
topic 2D materials
2D magnetism
lanthanides
density functional theory
magnonics
url https://doi.org/10.1088/2515-7639/adc3cd
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AT doryelesteras tailoringthepropertiesofthe2dferromagnetcrsbrbylanthanidedoping
AT josejbaldovi tailoringthepropertiesofthe2dferromagnetcrsbrbylanthanidedoping