Band-filling-controlled magnetism from transition metal intercalation in N1/3NbS2 revealed with first-principles calculations
We present a first-principles study of the effect of 3d transition metal intercalation on the magnetic properties of the 2H-NbS2 system, using spin-resolved density functional theory calculations to investigate the electronic structure of N1/3NbS2 (N=Ti, V, Cr, Mn, Fe, Co, Ni). We are able to accura...
| Main Authors: | , , , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
American Physical Society
2023
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