Electronic structure and magnetism in (CoPt)n(n⩽5) clusters

The geometrical and magnetic properties of bimetallic clusters (CoPt)n(1⩽n⩽5) have been studied by using the generalized gradient correction spin density formalisms. In general, the ground state structures of (CoPt)n clusters are the three-dimension structures. We found that both the binding energy and magnetism per (CoPt) unit are increasing consistently with the size of the Co-Pt cluster (n). However, as the n increases, the magnetism shows a trace of convergence while the binding energy shows a linearly increasing pattern. Generally, Co average magnetic moment is enhanced when alloyed with Pt atoms than that in pure Co clusters.