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Adsorption Tuning of Polarity and Magnetism in AgCr₂S₄ Monolayer.

ABSTRACT: As a recent successfully exfoliated non-van der Waals layered material, AgCrS₂ has received a lot of attention. Motivated by its structure-related magnetic and ferroelectric behavior, a theoretical study on its exfoliated monolayer AgCr₂S₄ has been carried out in the present work. Based on density functional theory, the ground state and magnetic order of monolayer AgCr₂S₄ have been determined. The centrosymmetry emerges upon two-dimensional confinement and thus eliminates the bulk polarity. Moreover, two-dimensional ferromagnetism appears in the CrS₂ layer of AgCr₂S₄ and can persist up to room temperature. The surface adsorption has also been taken into consideration, which shows a nonmonotonic effect on the ionic conductivity through ion displacement of the interlayer Ag, but has little impact on the layered magnetic structure.

SUBMITTER: Li R

PROVIDER: S-EPMC10140950 | biostudies-literature | 2023 Apr

REPOSITORIES: biostudies-literature

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Adsorption Tuning of Polarity and Magnetism in AgCr2S4 Monolayer.

Li Ranran R Wang Yu Y Ding Ning N Dong Shuai S An Ming M

Materials (Basel, Switzerland) 20230412 8

As a recent successfully exfoliated non-van der Waals layered material, AgCrS2 has received a lot of attention. Motivated by its structure-related magnetic and ferroelectric behavior, a theoretical study on its exfoliated monolayer AgCr2S4 has been carried out in the present work. Based on density functional theory, the ground state and magnetic order of monolayer AgCr2S4 have been determined. The centrosymmetry emerges upon two-dimensional ...[more]

PMID: 37109894

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