A systematic investigation on magnetism and spin-resolved electronic properties in double perovskite Ca2CoMoO6 compound was performed by using the full-potential augmented plane wave plus local orbitals (APW+lo) method, within the generalized gradient approximation (GGA-PBE) and GGA-PBE+U scheme. It is shown the stability of the monoclinic phase (P21/n #14) relative to tetragonal (I4/m#87) and cubic (Fm3m #225). We also investigate the effect of Hubbard parameter U on the ground-state structural parameters and electronic properties. The analysis of the calculated spin-polarized band structures and densities of states indicate that Ca2CoMoO6 compound was half-metallic (HM) and halfsemiconductor (HSC) ferromagnetic (FM) semiconductor with a total magnetic moment of 6.0, when using GGA-PBE and GGA-PBE+U, respectively.An estimation of exchange couplings and magnetic Curie temperature has been given using the Vampire code. Further, our results regarding to the magnetic properties of this compound reveal their ferromagnetic nature. The GGA-PBE+U approach provides better band gap results as compared to GGA-PBE approximation. These results imply that Ca2CoMoO6 could be a promising magnetic semiconductor for application in spintronic devices.2
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