The half-metallic properties and geometrical structures of cubic BaMnO3 and BaTiO3/BaMnO3 superlattice

Abstract

The electronic structure and electrical transport properties of the cubic perovskite (E21) oxide barium manganese (BaMnO3) and the BaMnO3/BaTiO3 superlattice are investigated by the density-functional theory in this report. The results show that the cubic BaMnO3 exhibits half-metallic properties with an integral magnetic moment of 3.000 μB per unit cell in its metastable state, while the BaTiO3/BaMnO3 superlattice also shows a stable half-metallic ground state with an integral magnetic moment of 12.000 μB per unit cell. In conclusion, we show that the construction of a BaMnO3/BaTiO3 superlattice could stabilize the cubic metastable phase of the BaMnO3 and provide a stable half-metallic material for potential applications in spintronic devices.