Theoretical investigations on structural, electronic and magnetic properties of passivated III-V and II-VI diluted magnetic semiconducting clusters are performed with density functional theory. Magnetic impurities are doped into the semiconducting host, where the impurity atom substitutes the host metal atom. The magnetic dopant (Mn, Co) in III-V and II-VI semiconductors (GaN, ZnO), which acts as a substitutional impurity replacing the host metal atom exhibits an enhanced magnetic moment per impurity atom. In the present work, we report the results of magnetic impurity doped semiconducting clusters and study the changes in the properties with respect to concentration of dopant, distribution of the impurity atom in the cluster and the effect of cluster size. The results are compared to bulk.

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