The Preservation of the Half-Metallicity during the Substitution of Manganese in $${\text{Ba}_{{1 - x}}}{\text{Mn}_{x}}\text{O}$$ Alloy

The object of this study is to investigate the half-metallicity, electronic structures and magnetic in the Ba1 – xMnxO compounds under the effect of substitution of Mn impurity at the different composition x = 0.25, 0.5, and 0.75 by the use of density functional theory (DFT) based first principle calculations. The half-metallic ferromagnetism is explained by analyzing the density of states. The ferromagnetic states configuration is originated...