Magnetic Properties of CaMnO3 Layers on the (100) Surface of BaTiO3

详细

“Ab-initio” calculations of the electronic structure of the heterojunction (001) between cubic CaMnO₃ and BaTiO₃ perovskites are performed on the basis of density functional theory for different variants of magnetic ordering in calcium manganite. The paper considers some cases of ferromagnetic and antiferromagnetic A-type ordering. Comparison of the total energies of these structures shows that antiferromagnetic ordering in CaMnO3 is the most favorable. All the studied structures in a ferromagnetic state are half-metallic ferromagnets.