Magnetic moments of NiN clusters (N ≤ 34): relation to atomic structure

J. L. Rodríguez-López; F. Aguilera-Granja; A. Vega; J. A. Alonso

doi:10.1007/s100530050305

EPJ

Magnetic moments of Ni_N clusters (N ≤ 34): relation to atomic structure

J. L. Rodríguez-López¹, F. Aguilera-Granja¹, A. Vega² and J. A. Alonso²

¹ Instituto de Física, Universidad Autónoma de San Luis Potosí, 78000 San Luis Potosí, Mexico
² Departamento de Física Teórica, Universidad de Valladolid, E-47011 Valladolid, Spain

Received: 24 June 1998
Revised: 12 November 1998
Published online: 15 May 1999

Abstract

We have calculated the magnetic moment per atom of nickel clusters (Ni_N) as a function of cluster size in the range

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.

PACS: 36.40.Cg – Electronic and magnetic properties of clusters / 75.30.Pd – Surface magnetism / 75.50.-y – Studies of specific magnetic materials