Magnetic moments of Nin clusters (N ≤ 34): Relation to atomic structure Article uri icon

abstract

  • We have calculated the magnetic moment per atom of nickel clusters (NiN) as a function of cluster size in the range N ≤ 34 for the geometries proposed in the literature, obtained from different semi-empirical potentials. The spin-polarized electronic structure has been calculated with a self-consistent tight-binding method considering the 3d, 4s and 4p valence electrons. We discuss the influence of geometrical factors like bond distance and coordination number. Good overall agreement with experiment is obtained, but some discrepancies remain.

publication date

  • 1999-01-01