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Limited Ferromagnetic Interactions in Monolayers of MPS(3) (M = Mn and Ni)

[Image: see text] We present a systematic study of the electronic and magnetic properties of two-dimensional ordered alloys, consisting of two representative hosts (MnPS(3) and NiPS(3)) of transition metal phosphorus trichalcogenides doped with 3d elements. For both hosts, our DFT + U calculations a...

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Detalles Bibliográficos
Autores principales: Autieri, Carmine, Cuono, Giuseppe, Noce, Canio, Rybak, Milosz, Kotur, Kamila M., Agrapidis, Cliò Efthimia, Wohlfeld, Krzysztof, Birowska, Magdalena
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9037203/
https://www.ncbi.nlm.nih.gov/pubmed/35493696
http://dx.doi.org/10.1021/acs.jpcc.2c00646