Magnetic Properties of Thin CaMnO3 Layers on BaTiO3 (100) Surface
The results of "ab-initio" calculations of spin-polarized electronic structure, total energy and the local atomic magnetic moments of CaMnO3/BaTiO3 (001) hetero junctions are presented. Total energies calculations of magnetic properties of manganites surfaces were performed using density-functional theory and the pseudo-potential method. We have considered only ferromagnetic and antiferromagnetic A-types of ordering. Energy comparison have shown that the most stable state corresponds to antiferromagnetic ordering in CaMnO3. All structures in FM state are half-metallic. We have found that on the surface layers without structural optimization manganese atomic magnetic moment is higher than in the bulk and "dead layers", where all the local moments are zero, have not been found.