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...

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Detalles Bibliográficos
Autores principales: Koo, Hyun-Joo, Kremer, Reinhard, Whangbo, Myung-Hwan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7961718/
https://www.ncbi.nlm.nih.gov/pubmed/33807780
http://dx.doi.org/10.3390/molecules26051410

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