Magnetic moments in Ni clusters with deformations

We have studied the influence of geometrical deformations on the magnetic moments of NiN clusters. Initial geometries of the clusters are taken from molecular dynamics and Monte Carlo calculations based on semi-empirical potentials. We only consider deformations, keeping the surface area of the clusters constant. The spin-polarized electronic structure has been calculated within a self-consistent spd tight-binding method in a mean-field approximation. The results indicate that 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 inter-atomic distance whereas changes in the sp component cannot be explained in terms of these geometrical parameters. The complex dependence of the total magnetic moment is determined mainly by the sp component. Our results have been compared with available experimental data.