Exciton g factors of van der Waals heterostructures from first-principles calculations

Interlayer excitons present in van der Waals heterostructures of transition metal dichalcogenides exhibit remarkably distinct effective g factors compared to their monolayer counterparts. Here, the authors employ first-principles calculations to investigate the interlayer exciton g factors in MoSe₂/WSe₂ vdW heterostructures revealing that they are strongly spin and stacking dependent. Furthermore, within the present approach it is possible to unambiguously identify the nature of various previously measured interlayer exciton peaks. This first-principles approach can potentially be applied to calculate exciton g factors of any semiconductor.