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"Magnetism of Small Mn Clusters"
J.A. Guevara, A.M. Llois, F. Aguilera-Granja and J.M. Montejano-Carrizales
Phys. Status Solidi B 239(2) (2003) 457-462
The role of structure on the magnetic properties of Mn clusters is investigated by performing calculations for different bcc families. In the very small cluster region calculations are also done for icosahedral structures. The spin polarized electronic properties of these geometries are calculated by solving a spd tight binding Hubbard-like Hamiltonian in the unrestricted Hartree-Fock approximation by using a bulk-like parametrization and adding extra orbital of s-like character to taking into account spillover effects. Conclusions about the structure of these clusters as a function of size are drawn by comparing with recent experimental results. We find that the prefered structure is always bcc. The magnetic coupling within the clusters is non ferromagnetic.
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