Ab Initio Study of Electronic and Magnetic Properties in ZnO-Doped and Co-doped by Vanadium and Silver

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Based upon the ab initio of spin density functional calculation, the electronic and magnetic properties of Zn1−x M x O (M = Ag or V) and Zn1−x−y A x B y O (A = V; B = Ag) are investigated, using the Korringa-Kohn-Rostoker (KKR) method coupled with the coherent potential approximation (CPA). The total and partial densities of state are calculated. The effect of concentration values in Zn1−x V x O and Zn1−x−y V x Ag y O are deduced. Moreover, the magnetic disorder local moment (DLM) and the total energy are obtained for different concentration values of doped and co-doped zinc oxide (ZnO).