https://doi.org/10.1007/s100530050305
Magnetic moments of NiN clusters (N ≤ 34): relation to atomic structure
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
We have calculated the magnetic moment per atom of nickel clusters (NiN)
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
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 1999
