Magnetic behavior of clusters Fe1VN (N ≤ 144) embedded in a Fe matrix Article uri icon

abstract

  • The magnetic properties of clusters Fe1/VN (N ≤ 144) in bulk Fe are determined by using a realistic spd-band Hubbard-like model. The spin density distribution is calculated self-consistently in the unrestricted Hartree-Fock approximation. The local magnetic moments μ(i) and the densities of electronic states ρi(ε) are obtained at various atoms i of clusters and of the surrounding matrix. The Fe atoms couple antiferromagnetically with the V atoms. In most cases the Fe moments close to the V atoms are reduced, [e.g., μ(6) = 1.82μB in Fe1/V 50]. The magnetic order into the clusters is not well defined, in some cases the magnetic order in the V atoms is antiferromagnetic, in another cases the magnetic order is ferromagnetic and in other cases the both magnetic arrangements coexist.

publication date

  • 2004-01-01