Magnetic behavior of Pd nanoclusters Conference Paper uri icon

abstract

  • We study the magnetic properties of free-standing Pd clusters of some selected sizes with icosahedral structures which are obtained as the most stable ones using the Embedded Atom Method from an uniform relaxation of different geometrical configurations. The spin-polarized electronic structure and related magnetic properties of those optimized geometries were calculated by solving self-consistently a spd tight-binding Hamiltonian. The magnetic moments obtained in our calculations present a step-like dependence as a function of the exchange parameter in the case of small cluster sizes and a more complex dependence for larger cluster sizes is found. We discuss the results in comparison with previous calculations for FCC Pd clusters and with recent experimental findings. We also study the dependence of the magnetic moments distribution within the clusters with some geometrical effects such as hydrostatic deformations and twining. © 2004 Elsevier B.V. All rights reserved.

publication date

  • 2004-01-01