Perpendicular magnetic anisotropy in a single Dy adatom ferrimagnet.

ABSTRACT: The electronic structure and magnetism of individual Dy atoms adsorbed on ferromagnetic (Gr)/Ni(111) substrate are investigated using a combination of the density functional theory with the Hubbard-I approximation to the Anderson impurity model (DFT+U(HIA)). The divalent Dy[Formula: see text] adatom in [Formula: see text] configuration with [[Formula: see text]] is found. The values of spin [Formula: see text]=3.4 [Formula: see text], orbital [Formula: see text]=5.2 [Formula: see text], and total [Formula: see text]=8.6 [Formula: see text] magnetic moments calculated for the Dy f-shell are noticeably different from the atomic second Hund's rule. There is almost zero moment on (Gr)-atoms. The ferromagnetic Ni substrate moments are anti-aligned to the Dy 4f-shell moment. The X-ray absorption

SUBMITTER: Shick AB 

PROVIDER: S-EPMC12534603 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature