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Structural evolution of free Co cluster magnetism
We present a systematic study of the average magnetic moments of free CoN clusters having different geometries: hexahedral, octahedral and decahedral. The spin-polarized electronic structure is calculated with a parameterized Hubbard Hamiltonian with spd electrons within the unrestricted Hartree-Fock approximation, and spillover effects are considered. We compare our calculations with other theoretical results found in the literature and we comment on the existing experimental results.
Approximation theory; Computational methods; Electronic structure; Magnetic moments; Magnetism; Nanostructured materials; Hartree-Fock approximation; Hubbard Hamiltonian; Cobalt
Generically Dependent Continuant
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Secretaria de Ciencia y Tecnica, Universidad de Buenos Aires, SECYT: PICT 03-00105-02043