Magnetic moment and photo-detachment spectroscopy of Ni-5 clusters

Authors
Khanna, SN Jena, P
Citation
Sn. Khanna et P. Jena, Magnetic moment and photo-detachment spectroscopy of Ni-5 clusters, CHEM P LETT, 336(5-6), 2001, pp. 467-472
Citations number
16
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
336
Issue
5-6
Year of publication
2001
Pages
467 - 472
Database
ISI
SICI code
0009-2614(20010323)336:5-6<467:MMAPSO>2.0.ZU;2-B
Abstract
Total energy calculations of a neutral and charged Ni-5 cluster and its iso mers corresponding to different spin multiplicities have been carried out u sing density functional theory and generalized gradient approximation. It i s demonstrated that its magnetic moment can be determined by comparing theo retical results with photo-detachment spectroscopy experiment. We find Ni-5 to have two nearly degenerate isomers with magnetic moments of 0.8 mu (B) per atom and 1.2 mu (B) per atom. (C) 2001 Elsevier Science B.V. All rights reserved.