Geometry, electronic structure and magnetism of small Con (n = 2−8) clusters

The electronic structure, geometries and magnetic moment of small Con (n = 2−8) clusters have been studied by using nonlocal density functional calculations. The clusters are found to have abundant low-lying states corresponding to different geometries and spin multiplicities close to their ground states. The calculated bond dissociation energies in most cases are in good agreement with the collision-induced dissociation experiment. An equation is proposed to relate the calculated binding energies to the surface reaction rates between Con and D2. The origin of the large magnetic moment has been successfully explained. Among the clusters Co6 exhibits extra stability. No magnetic magic number has been found.