Limited Ferromagnetic Interactions in Monolayers of MPS3 (M = Mn and Ni)

We present a systematic study of the electronic and magnetic properties of two-dimensional ordered alloys, consisting of two representative hosts (MnPS3 and NiPS3) of transition metal phosphorus trichalcogenides doped with 3d elements. For both hosts, our DFT + U calculations are able to qualitative...

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Veröffentlicht in:	Journal of physical chemistry. C 2022-04, Vol.126 (15), p.6791-6802
Hauptverfasser:	Autieri, Carmine, Cuono, Giuseppe, Noce, Canio, Rybak, Milosz, Kotur, Kamila M, Agrapidis, Cliò Efthimia, Wohlfeld, Krzysztof, Birowska, Magdalena
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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