Magnetic Properties of Intercalated Gr/Ni (111) System

Intercalation of graphene (Gr) with transition metals is perspective for creating magnetic tunnel junctions and structures of the type graphene/ferromagnetic metal/substrate with perpendicular magnetic anisotropy (PMA). The paper presents the results of first-principle calculations of the magnetic properties for Gr/Fe (Co)/Ni (111) systems. Ab initio calculations of the electron spectrum of the systems were performed in the framework of the spin density functional theory (SDFT). Kohn-Sham single-particle spectra were used to determine total energies of the systems for different spin quantization axes, partial and total densities of the electron states, and also magnetic moments of all atoms. Then, using these magnetic moments, the energies of dipole-dipole interaction were obtained and the magnetic crystalline anisotropy (MCA) of the systems was studied. Copyright © VBRI Press.