Abstract
The magnetism of Fe monolayers (MLs) adsorbed on Ir surfaces at low- and high-index orientations is investigated using a semi-empirical tight-binding method using the Hartree–Fock approximation within the Hubbard Hamiltonian. Iron MLs adsorbed on Vicinal Ir surfaces exhibit net magnetization close to that of (1 0 1) orientation. The maximum local magnetic moment is obtained at the edge atom, whereas the least is at the kink due to the coordination. Ferromagnetic (FM) 3d–5d coupling between Fe and Ir is obtained in agreement with experimental results and theoretical predictions. The filling of the 5d band is behind the kind of coupling as compared with Fe MLs adsorbed on W substrates and other elements less than half-filled in the series of transition.
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