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Unusual Spin Exchanges Mediated by the Molecular Anion P(2)S(6)(4−): Theoretical Analyses of the Magnetic Ground States, Magnetic Anisotropy and Spin Exchanges of MPS(3) (M = Mn, Fe, Co, Ni)
We examined the magnetic ground states, the preferred spin orientations and the spin exchanges of four layered phases MPS(3) (M = Mn, Fe, Co, Ni) by first principles density functional theory plus onsite repulsion (DFT + U) calculations. The magnetic ground states predicted for MPS(3) by DFT + U cal...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7961718/ https://www.ncbi.nlm.nih.gov/pubmed/33807780 http://dx.doi.org/10.3390/molecules26051410 |