Electronic Resource
Springer
The European physical journal
19 (1991), S. 255-257
ISSN:
1434-6079
Keywords:
31.20. Sy
;
36.40. + d
;
75.60. Jp
Source:
Springer Online Journal Archives 1860-2000
Topics:
Physics
Notes:
Abstract Isomers of pure Fe13 and icosahedral Fe12X clusters are studied using the all-electron linear-combination-of-Gaussian-type-orbital (LCGTO) local-density-functional (LDF) methods that allow the spin and geometry of the cluster to be determined self-consistently. The Fe13 ground state is icosahedral. The icosahedral cluster also has the greatest magnetic moment because of increased symmetry-required orbital degeneracy for electrons of different spins. The central atom of the icosahedral iron cluster has been varied to optimize the spin of the cluster keeping the oribital contribution to the magnetic moment quenched. Varying the central atom under this constraint can alter the magnetic moment by more than 20%. Similar studies have begun on 55-atom icosahedral iron clusters.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01448305
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