Abstract
We study the effects of the geometric deformations on the magnetic moments in free NiN with different geometrical shapes. Initial geometries of the clusters come from Molecular Dynamics and Monte Carlo calculations based on semi-empirical potentials. We only consider deformations that keep constant the surface area of the clusters. The spin-polarized electronic structure has been calculated within a self-consistent tight binding method considering the 3d, 4s, and 4p valence electrons in a mean field approximation. The results indicate that the changes in the d component of the magnetic moment as a consequence of the deformation can be explained in terms of the coordination number and interatomic distance, whereas the changes in the sp component can not be explained in terms of those geometrical parameters. Our results are compared with the available experimental data.
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© 2001 Kluwer Academic / Plenum Publishers, New York
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Hernández-Torres, J., Aguilera-Granja, F., Vega, A. (2001). Deformation Effects in the Magnetic Moments of Ni Clusters. In: Morán-López, J.L. (eds) Physics of Low Dimensional Systems. Springer, Boston, MA. https://doi.org/10.1007/0-306-47111-6_8
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DOI: https://doi.org/10.1007/0-306-47111-6_8
Publisher Name: Springer, Boston, MA
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