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...
Main Authors: | , , , , , , , |
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Format: | Article |
Language: | English |
Published: |
American Chemical Society
2022
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Subjects: | |
Online Access: | View Fulltext in Publisher |