Первопринципные расчеты магнитной анизотропии пленок Fe и Co, разделенных прослойкой немагнитных металлов

Abstract

This paper presents the results of numerical calculations of the magnetic characteristics of Co and Fe monolayer films on Cu and Pt surfaces using the VASP software package. The values ​​of the difference between the total energies of the antiferromagnetic and ferromagnetic configurations are calculated depending on the convergence parameters and the thickness of the nonmagnetic material. The values ​​of the magnetic anisotropy and magnetic moment of atoms in the structures of Co / Cu / Co, Fe / Pt / Fe, Co / Pt / Co, Pt / Co / Cu / Co / Pt are determined depending on the orientation of the surface face. For the (110) and (111) faces, the phenomenon of reorientation in the Co / Cu / Co structure is confirmed, when the anisotropy of the cobalt films parallel to the surface plane is replaced by the perpendicular anisotropy due to the introduction of an ultrathin platinum film into the structure.