Investigation of the structural, electronic, and magnetic properties of NiSe in cubic phase by incorporating Hubbard U corrections: a DFT + U study

Abstract The structural, electronic, and magnetic properties of NiSe in the cubic phase were investigated under the framework of density functional theory (DFT) within the full potential linearized augmented plane wave (FP-LAPW) method. The lattice constant is calculated from the volume optimization...

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Bibliographic Details
Main Authors: G. Ajay, M. Mohamed Sheik Sirajuddeen, Sakthivel Pandurengan, V. Ashwin, K. Ravichandran
Format: Article
Language:English
Published: Springer 2025-08-01
Series:Discover Applied Sciences
Subjects:
Online Access:https://doi.org/10.1007/s42452-025-07547-4
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