Spin-polarization of V/Mo(1 0 2n−1) stepped structures

The magnetism of V/Mo(1 0 2n−1) stepped surfaces with n=1−6 is investigated using the self-consistent tight-binding method in the unrestricted Hartree–Fock approximation with Hubbard Hamiltonian. These structures exhibit local magnetic moments with the least values on the kink atoms. The local moments of the edge atoms are affected by those of the kink atoms and cause a reduction in their values as compared with the moments of the interior atoms. The local moment of the kink atom is frustrated due to the ferromagnetic coupling with their nearest neighbors. The average magnetization increases as the step length increases.