▎ 摘　　要

The results of a density functional theory study of the band structure of two-dimensional (2D) graphene/MnO(001), new materials for spintronics, with an antiferromagnetic type of ordering are presented. The regularities of the change of the valence band electron structure in the 3D MnO -> 2D MnO -> 2D graphene/MnO(001) series have been studied in a comparison with X-ray photoelectron spectra. The stability of the system has been established, and the energy of chemical binding has been determined using the calculation of the structural energy of 2D graphene/MnO(001). The features of the spin state in the valence band-in particular, at the Fermi level-as well as interatomic interaction in 2D graphene/MnO(001) have been discussed in comparison with 2D and 3D MnO systems with antiferromagnetic ordering. The magnetic moment of the Mn atom in all considered systems has been estimated and compared with the experimental one. The effect of the spin polarization for the oxygen and carbon atoms has been detected. The nature of this effect has been considered.