ELECTRONIC-STRUCTURE AND MAGNETIC-BEHAVIOR OF NI-13 CLUSTERS

Authors
REUSE FA KHANNA SN BERNEL S
Citation
Fa. Reuse et al., ELECTRONIC-STRUCTURE AND MAGNETIC-BEHAVIOR OF NI-13 CLUSTERS, Physical review. B, Condensed matter, 52(16), 1995, pp. 11650-11653
Citations number
20
Categorie Soggetti
Physics, Condensed Matter
Journal title
Physical review. B, Condensed matter → ACNP
ISSN journal
01631829
Volume
52
Issue
16
Year of publication
1995
Pages
11650 - 11653
Database
ISI
SICI code
0163-1829(1995)52:16<11650:EAMONC>2.0.ZU;2-#
Abstract
Electronic-structure studies on a Ni-13 cluster have been carried out using a r-combination-of-atomic-orbitals-molecular-orbital approach wi thin the density-functional formalism. The ground state is shown to be a distorted D-3d icosahedron. The cluster has a magnetic moment per a tom close to the bulk and is marked by a number of higher spin states close to the ground state. Their effect on the observed magnetic behav ior is discussed.