In this paper the electronic properties including band structure and density of states are presented for perovskite ceramic Pb(Zr0.5Ti0.5)O3 in monoclinic phase. The calculations were performed in the framework of density functional theory (DFT), using the full potential-linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation (GGA GGA+U, LDA+U). Using GGA only we obtained Eg-2.3eV, but application of LDA+Uand GGA+U and exerting U=0.6, 1.1 and 1.6Ryd for Pb, Zr and Ti respectively the calculated band gap was 2.92eV and 3.02eV which are much closer to the experimental value (Eg=3.25eV). This shows that considering the effect of electron spin for d orbital gives rise to better results.

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