Proximity effects on the local magnetic moments of clusters V6-V9 embedded in a Fe matrix

The magnetic behavior of clusters V6-V9 in bulk Fe is determined by using an electronic Hamiltonian which includes s, p and d electrons. The spin density distribution is calculated self-consistenly in the unrestricted Hartree-Fock approximation. The local magnetic moments are obtained at V and Fe atoms; the magnetic coupling between Fe and V atoms is antiferromagnetic-like. We consider two cases, the first case correspond to non-interacting clusters, the distance between them is infinity, and the another case, when the clusters are interacting, the separation between them is finite; in the first case, the magnetic order in V6 is ferromagnetic-like whereas for V9 the magnetic order is antiferromagnetic-like, in the second case we have found that the magnetic order is not well stablished in V6. We have found that the magnetic order in 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 (2.22μB) [e.g. μFe(5) = 1.98μB in V6; μFe(3) = 1.89μB in V9].