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Valence band electronic structure of the van der Waals antiferromagnet FePS3

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Valence band electronic structure of the van der Waals antiferromagnet FePS3

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dc.contributor.author	Esteras, Dorye L.
dc.contributor.author	Mañas Valero, Samuel
dc.contributor.author	Coronado Miralles, Eugenio
dc.contributor.author	Baldoví, José J.
dc.date.accessioned	2023-10-16T13:46:10Z
dc.date.available	2023-10-16T13:46:10Z
dc.date.issued	2023
dc.identifier.citation	Esteras, Dorye L. Mañas Valero, Samuel Coronado Miralles, Eugenio Baldoví, José J. 2023 Valence band electronic structure of the van der Waals antiferromagnet FePS3 Materials Today Electronics 6 100061
dc.identifier.uri	https://hdl.handle.net/10550/90367
dc.description.abstract	Antiferromagnetic van der Waals materials have gained a lot of interest in recent years. They can be exfoliated down to the two-dimensional (2D) limit while potentially preserving intriguing properties of antiferromagnets, such as insensitivity to external magnetic fields and ultrafast spin dynamics in the THz range. The investigation of the electronic band structure of these materials is crucial to understand their behavior and thus to identify paths for future applications. Here, we investigate the valence band structure of one of the most studied 2D antiferromagnets -iron phosphorus trisulfide (FePS3)- using angle-resolved photoemission spectroscopy (ARPES) and compare our results with first-principles calculations based on Hubbard-corrected density functional theory (DFT+U). This allows us to identify the bands originating respectively from the Fe 3d, the S 3p, and the P 3p orbitals and to describe their dispersion throughout the whole Brillouin zone. Our results represent an important step towards an accurate theoretical description of the electronic properties of transition metal phosphorus trisulfides, which is a pre-requisite for understanding the behavior of antiferromagnetic materials at the 2D limit.
dc.language.iso	eng
dc.relation.ispartof	Materials Today Electronics, 2023, vol. 6, p. 100061
dc.subject	química
dc.subject	materials
dc.title	Valence band electronic structure of the van der Waals antiferromagnet FePS3
dc.type	journal article
dc.date.updated	2023-10-16T13:46:10Z
dc.identifier.doi	10.1016/j.mtelec.2023.100061
dc.identifier.idgrec	161415
dc.rights.accessRights	open access
dc.relation.projectID	H2020/SINFONIA/ID:964396