First principle studies of structural, elastic, electronic and magnetic properties of spinel XAl2O4 (X= Mg, Mn, Fe, Co, Cu, Ni, Zn) compounds

Abstract We perform first-principles calculations to investigate the structural, elastic, electronic and magnetic properties of transition metal cubic spinel XAl 2 O 4 (X = Mg, Mn, Fe, Co, Cu, Ni, Zn) compounds using full potential linearized augmented plane wave plus local orbitals method. Calculated values of elastic constant show that these compounds are stable against elastic deformation. Higher values of the bulk moduli and Yungs moduli indicate hardness and stifness of these materials. Futhermore, ground state electronic structure and magnetic properties of these materials are investigated.