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

TL;DR

This study explores how lanthanide (Dy) doping alters the structural, electronic, and magnetic properties of the 2D ferromagnet CrSBr, revealing enhanced magnetic anisotropy and tunable Curie temperature, with implications for spintronics and quantum technologies.

Contribution

It presents a systematic analysis of Dy doping effects on CrSBr monolayers and introduces new Dy-based 2D magnetic materials with potential for advanced applications.

Findings

Dy doping enhances magnetic anisotropy in CrSBr.

Doping modulates the Curie temperature of CrSBr.

Dy-based monolayers exhibit long-range magnetic order at low temperatures.

Abstract

The growing interest in 2D van der Waals (vdW) magnetic materials stems from their unique properties and potential applications in spintronics, magnonics and quantum information technologies. Among them, CrSBr is a semiconductor that stands out, owing to its high Curie temperature (TC ~ 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, modulates TC, and can create quasi-1D ferromagnetic chains that arise from competing ferromagnetic and 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.