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Mott–Hubbard insulating state for the layered van der Waals FePX3 (X: S, Se) as revealed by NEXAFS and resonant photoelectron spectroscopy

Jin, Yichen and Yan, Mouhui and Kremer, Tomislav and Voloshina, Elena and Dedkov, Yuriy – 2022

A broad family of the nowadays studied low-dimensional systems, including 2D materials, demonstrate many fascinating properties, which however depend on the atomic composition as well as on the system dimensionality. Therefore, the studies of the electronic correlation effects in the new 2D materials is of paramount importance for the understanding of their transport, optical and catalytic properties. Here, by means of electron spectroscopy methods in combination with density functional theory calculations we investigate the electronic structure of a new layered van der Waals FePX3 (X: S, Se) materials. Using systematic resonant photoelectron spectroscopy studies we observed strong resonant behavior for the peaks associated with the 3dn−1 final state at low binding energies for these materials. Such observations clearly assign FePX3 to the class of Mott–Hubbard type insulators for which the top of the valence band is formed by the hybrid Fe-S/Se electronic states. These observations are important for the deep understanding of this new class of materials and draw perspectives for their further applications in different application areas, like (opto)spintronics and catalysis.

Title
Mott–Hubbard insulating state for the layered van der Waals FePX3 (X: S, Se) as revealed by NEXAFS and resonant photoelectron spectroscopy
Author
Jin, Yichen and Yan, Mouhui and Kremer, Tomislav and Voloshina, Elena and Dedkov, Yuriy
Date
2022
Identifier
DOI: 10.1038/s41598-021-04557-1
Source(s)
Citation
Sci. Rep. 2022 12, 735.