Deconstruction of the Anisotropic Magnetic Interactions from Spin-Entangled Optical Excitations in van der Waals Antiferromagnets.

ABSTRACT: Magneto-optical excitations in antiferromagnetic d systems can originate from a multiplicity of light-spin and spin-spin interactions, as the light and spin degrees of freedom can be entangled. This is exemplified in van der Waals systems with attendant strong anisotropy between in-plane and out-of-plane directions, such as MnPS3${\rm MnPS}_3$ and NiPS3${\rm NiPS}_3$ films studied here. The rich interplay between the magnetic ordering and sub-bandgap optical transitions poses a challenge to resolve the mechanisms driving spin-entangled optical transitions, as well as the single-particle bandgap itself. Here, a high-fidelity ab initio theory is applied to find a realistic estimation of the bandgap by elucidating the atom- and orbital-resolved contributions to the fundamental sub-bands. It i

SUBMITTER: Jana D 

PROVIDER: S-EPMC12786320 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature