Theoretical study of the spin polarization and magnetic properties of (Co, Fe)/MgO thin film heterostructures

The electronic structure and magnetic properties of thin-film (Co,Fe)/MgO heterostructures have been examined using the GGA + U method. It has been found that the epitaxial strain in the Co layer leads to the antiferromagnetic order, which can deteriorate the polarization characteristics of the (Co, Fe)/MgO interface. The simulation of the extension of bcc Co lattice has shown that the change in the long-range order from ferromagnetic to antiferromagnetic can be caused by an increase in the interatomic distance.