Structure and properties of cobalt clusters up to the tetramer: A density-functional study
- 15 April 1997
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 55 (16) , 10905-10921
- https://doi.org/10.1103/physrevb.55.10905
Abstract
All-electron calculations have been performed on cobalt clusters up to the tetramer using the local and generalized gradient correction spin density formalisms. These clusters present an abundance of low-lying states. In the case of , we have found that two and three-dimensional structures are energetically very close. Symmetric structures exhibit high degeneracy. Jahn-Teller deformations have hence been investigated and have been found to play an important role in such transition-metal clusters. General trends in the magnetic moment per atom and in the attachment energy have been elucidated.
Keywords
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