Ferromagnetism in Defected TMD (MoX<sub>2</sub>, X = S, Se) Monolayer and Its Sustainability under O<sub>2</sub>, O<sub>3</sub>, and H<sub>2</sub>O Gas Exposure: DFT Study

Ferromagnetism in Defected TMD (MoX<sub>2</sub>, X = S, Se) Monolayer and Its Sustainability under O<sub>2</sub>, O<sub>3</sub>, and H<sub>2</sub>O Gas Exposure: DFT Study

Spin-polarized density-functional theory (DFT) has been employed to study the effects of atmospheric gases on the electronic and magnetic properties of a defective transition-metal dichalcogenide (TMD) monolayer, MoX<sub>2</sub> with X = S or Se. This study focuses on three single vacanc...

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Bibliographic Details
Main Authors: Anjna Devi, Neha Dhiman, Narender Kumar, Wadha Alfalasi, Arun Kumar, P. K. Ahluwalia, Amarjeet Singh, Nacir Tit
Format: Article
Language:English
Published: MDPI AG 2023-05-01
Series:Nanomaterials
Subjects:
spin-polarized DFT
magnetic impurity and defect levels
ferromagnetism
electronic and magnetic properties
half-metallicity
spintronics
Online Access:https://www.mdpi.com/2079-4991/13/10/1642

Internet

https://www.mdpi.com/2079-4991/13/10/1642

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