https://doi.org/10.1140/epjd/e2003-00193-6
Magnetism in clusters of non-magnetic elements: Pd, Rh, and Ru
Magnetism in clusters of non-magnetic elements
1
Institute for Materials Research, Tohoku University,
2-1-1 Katahira Aoba-ku, Sendai 980-8577, Japan
2
Dr. Vijay Kumar Foundation, 45 Bazaar Street,
K.K. Nagar (West), Chennai 600 078, India
Corresponding author: a kumar@imr.edu
Received:
10
September
2002
Published online:
3
July
2003
We have carried out ab initio calculations on clusters of Pd with 2–23, 55, and 147 atoms
using ultrasoft pseudopotential plane wave method and spin-polarized generalized gradient
approximation for the exchange-correlation energy. It is found that these clusters have an
icosahedral growth and size dependent oscillatory magnetic moments. Atomically closed
shell 13, 55, and 147 atom clusters have large moments of 8, 26, and 60 
, respectively.
But cubic Pd55 has a small moment of 10 only. This shows the importance of
the icosahedral structure in the development of magnetism in Pd clusters. The magnetic
energy is, however, small and the moments get quenched by H adsorption. Similar studies
have been carried out on Rh and Ru clusters. In the atom these have large moments as
compared to zero for Pd and therefore, the moments on clusters are also large. However,
the moments decrease rapidly as the size grows.
PACS: 36.40.Cg – Electronic and magnetic properties of clusters / 71.15.Nc – Total energy and cohesive energy calculations
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2003
