Interplay of luminescence and magnetic phenomena in Mn-doped ZnS zinc blende nanocrystals: Influence of magnetic doping

This research comprehensively investigates the interplay between luminescence and magnetic phenomena in the zinc blende phase of manganese-doped and undoped zinc sulfide. The study involves the synthesis of zinc sulfide nanocrystals through a soft chemical method, followed by an in-depth experimental characterization. Theoretical studies were conducted using a 2 × 2 × 2 supercell model with 64 atoms to explore the impact of native defects and manganese doping on zinc sulfide's the electronic, magnetic, and optical properties. The research findings offer a detailed physical description of magnetic and optic phenomena observed, underpinned by a strong correlation between theoretical predictions and experimental results. An essential contribution of this work is developing a depiction that elucidates the relationship between optical transitions and spin-exchange in the context of these phenomena. •In-depth exploration of luminescence and magnetism in Mn-doped ZnS nanocrystals.•Soft chemical method for ZnS synthesis, complemented by thorough characterization.•Use of a 2 × 2 × 2 supercell model for theoretical studies on the impact of native defects and Mn doping.•Strong correlation between theoretical predictions and experimental results in magnetic and optic phenomena.•Insight into the interplay between optical transitions and spin-exchange.