Abstract
The magnetism of small free vanadium clusters (V N , N≤59) with a bcc-like structure is studied using a d electron tight binding Hamiltonian. The spin density distribution is calculated self-consistently in the unrestricted Hartree–Fock approximation. We have found that the free V clusters shown different magnetic behavior depending on their size. Results for the local magnetic moments, average magnetic moment and the magnetic order at T=0 K are obtain as a function of N. For the V N clusters μ avg varies as a function of N due to the interplay between the changes in coordination number and local environment; for N≤4 the ground state is ferromagnetic whereas for N≥9 the ground state is mainly antiferromagnetic in agreement with ab initio and tight binding calculations, respectively.
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