The electronic structure and magnetism of 13-atom Y clusters with possible high-symmetry geometries have been studied by using the local and generalized gradient correction spin density formalisms. The I-h structure has been found to be more stable than the O-h and D-3h clusters and to have giant moment of 19 mu(B) at generalized gradient approximation level.
Electronic structure and magnetism of Y-13 clusters
TOIGO, FLAVIO
1999
Abstract
The electronic structure and magnetism of 13-atom Y clusters with possible high-symmetry geometries have been studied by using the local and generalized gradient correction spin density formalisms. The I-h structure has been found to be more stable than the O-h and D-3h clusters and to have giant moment of 19 mu(B) at generalized gradient approximation level.File in questo prodotto:
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