Abstract
The magnetic properties of a pair V4 atomic clusters embedded in bulk Fe are determined by using a realistic spd-band Hubbard-like model. The spin density distribution is calculated self-consistenly in the unrestricted Hartree-Fock approximation. The local magnetic moments mu(i) are obtained at various atoms i of the cluster and of the surrounding Fe matrix. We consider two different geometrical arrangements for V clusters, collinear (C) and non-collinear (NC). In all the cases studied the magnetic coupling in the interface cluster-matrix is antiferromagnetic, and the ferromagnetic order of the matrix is not broken by the presence of the V atoms, although the local magnetic moments of Fe atoms at the interface cluster-matrix, are reduced respect to Fe bulk magnetization (2.22 microB) about 8%-20%. We compare the results with those of just one V4 atomic cluster embedded in bulk Fe.
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