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First principle calculations of electronic and magnetic properties of Mn-doped CdS (zinc blende): a theoretical study
2017
Materials Science-Poland
The electronic structure and magnetic properties of Mn doped zinc blende cadmium sulfide Cd1-xMnxS (x = 6.25 %) have been studied using spin-polarized density functional theory within the framework of Generalized Gradient Approximation (GGA), its further corrections including Hubbard U interactions (GGA + U) and a model for exchange and correlation potential Tran Blaha modified Becke-Johnson (TB-mBJ). Ferromagnetic interactions have been observed between Mn atoms via S atom due to strong p-d
doi:10.1515/msp-2017-0084
fatcat:ywcgct7fhrhd7eev7a6ep5btlm