1.Peter the Great Saint-Petersburg Polytechnic University,Saint-Petersburg,Russia;2.Konstantinov Saint-Petersburg Institute of Nuclear Physics,Russian Research Center Kurchatov Institute,Gatchina, Leningrad oblast,Russia
Abstract:
“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.
