Ab Initio Calculations of Electronic and Magnetic Properties of AlMnO3 Perovskite Manganites

The electronic structure of the perovskite manganites AlMnO3 cubic crystal was presented. The calculations were made within density functional theory and PBE exchange correlations energy approximation. It was found that the crystal exhibit covalent bonding between Mn and O with superexchange mechanism. At groundstate, AlMnO3 stabilizes in antiferromagnetic structure with semi metallic like nature at the ground state.