Abstract
We present a systematic study of the average magnetic moments and the non-metal–metal transition of free CoN clusters having different geometries: hexahedral, octahedral and decahedral. The electronic structure is calculated with a parameterized Hubbard Hamiltonian with spd electrons within the unrestricted Hartree-Fock approximation, and spill-over effects are considered. We compare our calculations with other theoretical calculations in the literature. We also comment on the experimental results.
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