Promoting p -based Hall effects by p−d−f hybridization in Gd-based dichalcogenides

We conduct a first-principles study of Hall effects in rare-earth dichalcogenides, focusing on monolayers of
the H-phase EuX$_2$ and GdX$_2$ , where X = S, Se, and Te. Our predictions reveal that all EuX$_2$ and GdX$_2$ systems exhibit high magnetic moments and wide band gaps. We observe that while in the case of EuX$_2$ the p and f states
hybridize directly below the Fermi energy, the absence of f and d states of Gd at the Fermi energy results in
the p-like spin-polarized electronic structure of GdX$_2$ , which mediates p-based magnetotransport. Notably, these
systems display significant anomalous, spin, and orbital Hall conductivities. We find that in GdX$_2$ , the strength
of correlations controls the relative position of the p, d, and f states and their hybridization, which has a crucial
impact on p-state polarization and the anomalous Hall effect, but not the spin and orbital Hall effects. Moreover,
we find that the application of strain can significantly modify the electronic structure of the monolayers, resulting
in quantized charge, spin, and orbital transport in GdTe$_2$ via a strain-mediated orbital inversion mechanism taking
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place at the Fermi energy. Our findings suggest that rare-earth dichalcogenides hold promise as a platform for
topological spintronics and orbitronics.