Investigation on structure, electronic and magnetic properties of Cr doped (ZnO)12 clusters: First-principles calculations

Fully optimized structures of various isomers of doped (ZnO)12 clusters. The pink, green and blue balls represent O, Zn and Cr atoms, respectively. (A) Monodoped configurations. (B) Substitutional bidoped configurations. (C) Exohedral bidoped configurations. (D) Endohedral bidoped configuration.219