Magnetization of Fe monolayer on vicinal W semi-infinite substrate

The magnetization of a Fe monolayer on stepped W substrates is investigated using tight-binding method with the Hartree–Fock approximation within the Hubbard Hamiltonian. To assert the validity of the parameters of the Model Hamiltonian we first determine the magnetization of low miller indices and make the comparison with the full-potential calculations when available. The stepped surfaces net magnetization of Fe overlayers on W is enhanced from that of the (0 0 1) orientation owing to its geometry. This enhancement ranges roughly from 10% to 20% as compared to the bulk value. An antiferromagnetic coupling between the Fe atoms at the surface and those of W in the subsurface is always present in all the considered cases.