Abstract
In the present study, two interested transition-metal perovskite oxide SrMO3 (M = Mn and Co) were prepared by the standard solid-state reaction route. The structural, electronic and magnetic properties were investigated by x-ray powder diffraction (XRD) and full potential linearized muffin-tin orbital (FP-LMTO) method within generalized gradient approximation (GGA) and GGA+U in the framework of density functional theory (DFT). Also, the SrMO3 crystals were irradiated in the range 100 -500 kGy to explore the influence of gamma-radiation on the structural properties of these perovskite oxides. XRD patterns and DFT results showed that all samples were crystallized in a cubic crystal structure (with space group of Pm (3) over barm (no. 221) with single phase. The DFT lattice constants are in a good agreement with the experimental results. DFT calculations show strong hybridization between Mn (3d) and Co (3d) and the O (2p) orbitals, and the conduction bands were found to arise from M (3d) - O hybridized orbitals. Partial and total spin magnetic moments were calculated systemically for the SrMO3 based on doubleexchange interaction M4+ - O - M3+.