In:
Journal of Materials Chemistry C, Royal Society of Chemistry (RSC), Vol. 10, No. 38 ( 2022), p. 14344-14349
Abstract:
Two-dimensional (2D) materials are sensitive to external stimuli. In this work, via a combined first-principles simulations and constrained random phase approximation, we report strain-induced multiple magnetic phase transitions in an exfoliable nonmagnetic metallic 2D material ScI 2 . Interestingly, monolayer ScI 2 has a high density of states at the Fermi level [ N ( E F )]. Its product with the Stoner parameter is estimated to be slightly below the critical value of the Stoner criterion for spontaneous spin splitting. Moreover, we show bi-axial strains can effectively increase the N ( E F ) of ScI 2 , leading to phase transitions to magnetic states. While the tensile strain first yields an antiferromagnetic state at the critical magnitude of 3%, then a normal ferromagnetic state at 5%, and half-metallicity with large spin flip gaps for the minority spins for strains ≥ 6%, compressive strain induces a ferromagnetic configuration ranging from −6% to −10%. Our results demonstrate a system with strain controllable magnetic states, appealing for straintronic and spintronic applications, and provide guidance on the design of extrinsic 2D magnetic materials.
Type of Medium:
Online Resource
ISSN:
2050-7526
,
2050-7534
Language:
English
Publisher:
Royal Society of Chemistry (RSC)
Publication Date:
2022
detail.hit.zdb_id:
2702245-6
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