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

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