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MA: Fachverband Magnetismus

MA 58: Computational Magnetism II

MA 58.10: Vortrag

Freitag, 13. März 2026, 12:00–12:15, POT/0151

Proximity-Induced Magnetic Phases in CrI3 Monolayers Coupled to Transition-Metal Dichalcogenide Monolayer — •Zoltan Tajkov¹, Laszlo Oroszlany¹, Amador Garcia Fuente², Jaime Ferrer², Jaroslav Fabian³, and Daniel Pozsar¹ — ¹Eotvos Lorand University, Budapest, Hungary — ²University of Oviedo, Oviedo, Spain — ³University of Regensburg, Regensburg, Germany

We investigate the emergence of altered magnetic phases in a CrI3 monolayer induced by proximity effects with WTe2. Using density functional theory (DFT) calculations within the SIESTA framework, we analyze the magnetic properties via a novel approach for extracting the magnetic exchange interaction and onsite anisotropy tensors in extended Heisenberg spin models, explicitly incorporating relativistic effects. This method, based on the Liechtenstein-Katsnelson-AntropovGubanov torque formalism, evaluates energy variations upon infinitesimal spin rotations. Our results provide insight into how a 2D magnet is influenced when coupled to a material with strong spin-orbit coupling. Additionally, we explore the impact of varying twist angles, considering the incommensurability of the CrI3 and WTe2 unit cells.

Keywords: CrI3; LKAG; DFT; WTe2