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Ab-initio exploration of Gd monolayer interfaced with WSe2: from electronic and magnetic properties to the anomalous Hall effect

2025/07/21 by Mesbahi, Lyes, Messaoudi, Omar, Bouzar, Hamid +1
#FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)

paper · doi:10.48550/arxiv.2507.15583

Abstract

Heterostructures involving transition metal dichalcogenides (TMDs) have attracted significant research interest due to the richness and versatility of the underlying physical phenomena. In this work, we investigate a heterostructure consisting of a rare-earth material, specifically a Gd monolayer, interfaced with WSe2. We explore its electronic structure, magnetic properties, and transport behavior, with particular emphasis on the emergence of the anomalous Hall effect (AHE). Both Gd and W are heavy elements, providing strong spin-orbit coupling (SOC), which plays a crucial role in triggering the AHE. The combination of strong SOC and inversion symmetry breaking leads to pronounced asymmetries between the Γ-K and Γ-K^′ directions in the Brillouin zone. Our calculations reveal a substantial anomalous Hall conductivity (AHC) at the ferromagnetic interface, primarily originating from numerous avoided crossings involving the d-states of both Gd and W near the Fermi level. Moreover, we demonstrate that the AHC is highly tunable, either by adjusting the in-plane lattice constant or by reducing the separation between Gd and WSe2.

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