4.8 Article

Switching interlayer magnetic order in bilayer CrI3 by stacking reversal

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Magnetism and stability of all primitive stacking patterns in bilayer chromium trihalides

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Summary: Chromium trihalides in bilayer form can exhibit either ferromagnetic or antiferromagnetic interlayer exchange coupling depending on the stacking sequence. Crystallographic arguments and first-principles simulations were used to enumerate all possible stacking patterns, ranking them based on relative stability. The simulations provide a consistent framework for understanding experimental observations on bulk and exfoliated CrX3 crystals, with implications for future measurements.

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