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Abstract
This paper investigates the magnetic interactions and electron-correlation effects in 2D van der Waals materials using CrI₃ as a model. Calculations incorporating nonlocal electron correlations show spin excitations consistent with inelastic neutron-scattering measurements. A correlation-enhanced interlayer super-superexchange interaction is identified, causing a magnon gap along the high-symmetry Γ-K-M path. This finding offers a novel explanation for the gap opening in CrI₃, differing from previous attributions to spin-orbit coupling. The study highlights the importance of explicitly treating electron correlations in understanding spin ordering and dynamics in 2D magnetic materials.
Publisher
npj Computational Materials
Published On
Jan 04, 2021
Authors
Liqin Ke, Mikhail I. Katsnelson
Tags
magnetic interactions
electron correlations
2D van der Waals materials
CrI₃
magnon gap
spin excitations
superexchange interaction
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