Local magnetic moments of Fe1/CrN nanoinclusions embedded in bulk Fe Conference Paper uri icon

abstract

  • Local magnetic moments of Fe1/CrN inclusions in an Fe matrix are calculated as a function of the Cr number of atoms N at zero temperature, and for N ≤ 64. We use a realistic spd-band Hamiltonian to determine their magnetic properties. The local magnetic moments μ(i) at the various cluster sites i are calculated self-consistently in the unrestricted Hartree-Fock approximation. The matrix Fe atoms couple always antiferromagnetically with the Cr atoms. The μ(i) of Cr atoms at the interface are enhanced by the presence of Fe atoms in their first nearest neighbor shell. In most cases the Fe moments close to the cluster are reduced. A remarkable interplay between the antiferromagnetism of Cr and the ferromagnetism of Fe is obtained.

publication date

  • 2002-01-01