Tuning Electronic and Optical Properties in Co8Cr16O24 through Bismuth and Zirconium Doping
Rafat M. Ibrahim
Using density functional theory (DFT) via the all-electron, full-potential linearized augmented plane wave (LAPW) approach implemented in the ELK code, we investigate the electronic structure and optical properties of bulk Co₈Cr₁₆O₂₄ along with its doped derivatives Co₈Cr₁₅BiO₂₄ and Co₈Cr₁₅ZrO₂₄.
