Properties and structure of small cobalt clusters. Nonlocal density functional calculations

The results of self-consistent nonlocal (GGA) density functional calculatio ns are reported for small cobalt clusters (n less than or equal to 6;13). A n emphasis is made on a proper treatment of correlation effects. The magnet ic as well as the bonding properties of these clusters are discussed in ter ms of a delicate balance between intra- and interatomic exchange and correl ation. The enhancement of magnetic moments is analysed in terms of cluster symmetry. Finally, the present results are compared with other theoretical calculations obtained for these systems. (C) 1999 Elsevier Science Ltd. All rights reserved.