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"Skyrmions in van der Waals centrosymmetric materials with Dzyaloshinskii–Moriya interactions"

Hung Ba Tran and Yu-ichiro Matsushita of Quemix have posted a new paper on Scripta Materialia.


In non-centrosymmetric materials with Dzyaloshinskii-Moriya interactions (DMIs), the study examined the magnetic properties of van der Waals MX3 compounds (M: V, Cr, Mn, Fe; X: Cl, Br, I) featuring centrosymmetric lattices.

Using first-principle calculations and Monte Carlo simulations, it is found that DMIs are substantial due to the breaking of local inversion symmetry. These large DMIs induce the formation of nanoscale magnetic vortices, known as skyrmions.

We observed both conventional and antiferromagnetic skyrmions and merons in various materials. Notably, different helicities in CrCl3 and VCl3 suggest helicity control via electron/hole doping. Van der Waals materials, with versatile structures, hold promise for applications in skyrmion research.

Known for its efficient and exhaustive material simulation, Quloud-Mag - Magnetic Material Simulator Software - can perform first-principles calculations to compute the phase diagram of magnetic materials under temperature and external magnetic fields. In this study, we successfully proposed the existence of a skyrmion phase through theoretical calculations in stacked 2D material MX3.

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