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Structure and magnetic properties of Co-Cu bimetallic clusters
2002
Physical Review B (Condensed Matter)
The structural and magnetic properties of Co 18Ϫm Cu m (0рmр18) clusters are investigated with a genetic algorithm and a spd-band model Hamiltonian in the unrestricted Hartree-Fock approximation, respectively. In general, Cu atoms tend to occupy the surface, while Co atoms prefer to the interior of the clusters. Layered structures appear in some clusters with given stoichiometric compositions. The introduction of Cu atoms leads to a large increase of the magnetic moment of Co-rich circumstance
doi:10.1103/physrevb.66.014419
fatcat:342f34yofbcmhojdgfzsmqdlya