Abstract

The magnetism of iron (Fe) monolayers (ML) adsorbed on low- and high-index orientations of molybdenum (Mo) surfaces is investigated using the real-space self-consistent tight-binding recursion method in the Hartree–Fock approximation with Hubbard Hamiltonian. The (0 1 1) orientation is found to be the most favored to exhibit magnetism due to Fe neighboring atoms. The least magnetic moment is found in (0 0 1) orientation due to the larger number of Mo neighboring atoms. In the vicinal systems, the net magnetization decreases as the step length increases.

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