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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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Springer
2025-08-01
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| Series: | Discover Applied Sciences |
| Subjects: | |
| Online Access: | https://doi.org/10.1007/s42452-025-07547-4 |
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