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Proximity effects in graphene on monolayers of transition-metal phosphorus trichalcogenides MPX3

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Zollner, Klaus ; Fabian, Jaroslav
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Date of publication of this fulltext: 13 Feb 2023 15:09


We investigate the electronic band structure of graphene on a series of two-dimensional magnetic transition -metal phosphorus trichalcogenide monolayers, MPX3 with M = {Mn,Fe,Ni,Co} and X = {S,Se}, with first-principles calculations. A symmetry-based model Hamiltonian is employed to extract orbital parameters and sublattice resolved proximity-induced exchange couplings (lambda(A)(ex) and ...


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