Ab initio study of electronic structure and magnetic properties in ferromagnetic Sr1−x(Mn, Cr)xO alloys

A first-principles approach is used to study the structural, electronic and magnetic properties of Sr1−x(Mn, Cr)xO alloys. The investigation was done using the (FP-LAPW) scheme within the generalized gradient approximation by Wu and Cohen (GGA-WC), GGA+U and LSDA+U. At ambient conditions our calculated results of band structures reveal that for Sr1−x(Mn, Cr)xO (for x=0.25 and 0.75) has a half-metallic (HM) band structure profile showing 100% spin polarization at the Fermi level. Therefore, the Sr1−x(Mn, Cr)xO (for x=0.25 and 0.75) is a candidate material for future spintronic/magnetoelectronics applications.