Structural, electronic and magnetic properties of greigite Fe 3 S 4 by GGA and GGA+U versus SCAN meta-GGA density functionals
The performance of exchange-correlation functional of density functional theory represented in generalized gradient approximation (GGA) and in the strongly constrained and appropriately normed (SCAN) meta-GGA scheme to study structural, electronic, and magnetic properties of greigite (Fe 3 S 4 ) was...
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| Veröffentlicht in: | Journal of physics. Condensed matter 2024-04, Vol.36 (13), p.135601 |
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| Hauptverfasser: | , , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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