Electronic structure, geometries, and magnetic moments of small Ni n (n = 2-6, 8, 13) clusters have been studied using a linear combination of atomic orbital-molecular orbital approach within the density functional formalism. The clusters are found to exhibit an abundance of electronic states corres
Electronic structure and magnetism of Y13 clusters
β Scribed by Ding Changgeng; Yang Jinlong; Li Qunxiang; Wang Kelin; F. Toigo
- Publisher
- Elsevier Science
- Year
- 1999
- Tongue
- English
- Weight
- 53 KB
- Volume
- 256
- Category
- Article
- ISSN
- 0375-9601
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β¦ Synopsis
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 structure has been found to be more h stable than the O and D clusters and to have giant moment of 19m at generalized gradient approximation level. q 1999
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