Extended Data Fig. 2: Application of xDeepH to study Moiré magnets without or with magnetic skyrmion. | Nature Computational Science

Extended Data Fig. 2: Application of xDeepH to study Moiré magnets without or with magnetic skyrmion.

From: Deep-learning electronic-structure calculation of magnetic superstructures

Extended Data Fig. 2: Application of xDeepH to study Moiré magnets without or with magnetic skyrmion.

a, Schematic atomic structure and magnetic skyrmion in the MoirĂ©-twisted bilayer CrI3 (twist angle 63.48∘ and 4,336 atoms per supercell)28. Magnetic moments of the top CrI3 layer are labeled by colored arrows, whose out-of-plane components are shown by the color. The underlying CrI3 layer is in the ferromagnetic configuration with up magnetic moments. b,c, Band structures of the MoirĂ©-twisted bilayer CrI3 (b) in the ferromagnetic configuration and (c) in the magnetic skyrmion configuration. Γ, K and M denote different high-symmetry k -points of the Brillouin zone.

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