▎ 摘　　要

The electronic structure and magnetism of individual Dy atom adsorbed on the graphene/Ir(1 1 1) surface is investigated using the combination of the density functional theory with the Hubbard-I approximation to the Anderson impurity model (DFT + HIA). The divalent Dy2+ adatom is found, with the magnetic moment of 9.4-9.6 mu(B), depending on the placement of the graphene on the Ir(1 1 1) surface, in an external magnetic field. The spin and orbital magnetic moments are evaluated, and compared with the X-ray magnetic circular dichroism (XMCD) data. The positive magnetic anisotropy energy determines the out-of-plane orientation of the Dy adatom magnetic moment. Without an external magnetic field, the ground state is a doublet vertical bar J = 8, J(z) = +/- 7.9 >, symmetry protected from quantum tunnelling of the magnetization. Calculations show that insertion of the graphene layer promotes reduction of the hybridization between Dy-4f-states and the Ir(1 1 1) substrate, and leads to increase of the magnetic moment relaxation time for the Dy adatom.