Computational studies of materials with magnetic order in 2D
Theory department members contributed to a complex DFT-based study of the van der Waals magnetic material VI₃, revealing how its specific easy axis direction is linked to lattice distortions and exceptionally high orbital momentum. The obtained solution has specific electronic level occupations that exhibit clear signatures observed in XMCD spectrum. XMCD and XAS measurements confirmed the predicted high-orbital-momentum electronic state in real samples.
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