Magnetic properties of small Yttrium clusters

Citation
R. Guirado-lopez et al., Magnetic properties of small Yttrium clusters, EUR PHY J B, 6(4), 1998, pp. 459-466
Citations number
26
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
EUROPEAN PHYSICAL JOURNAL B
ISSN journal
14346028 → ACNP
Volume
6
Issue
4
Year of publication
1998
Pages
459 - 466
Database
ISI
SICI code
1434-6028(199812)6:4<459:MPOSYC>2.0.ZU;2-K
Abstract
The magnetic properties of small Y-N clusters are studied by using a tight- binding Hubbard Hamiltonian in the unrestricted Hartree-Fock approximation. Several types of cluster geometries are considered in order to see the eff ects of the size and symmetry of the structures on the magnetic properties. The average magnetic moments [M] are found to be constant over large domai ns of variations in the interatomic distance, a fact that can be explained by the existing closed shell electronic configurations at least for one spi n direction in all our magnetic solutions. Small energy gains upon the onse t of magnetization are obtained, which reveals the low stability of the mag netic solutions. Our results contradict the prediction of a magnetic-nonmag netic transition at a large cluster size (about 90 atoms) for these kinds o f systems.