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Using first-principles density functional theory based calculations, weanalyze the structural stability of small clusters of 3$d$ late transitionmetals. We consider the relative stability of the two structures - layer-likestructure with hexagonal closed packed stacking and more compact structure oficosahedral symmetry. We find that the Co clusters show an unusual stability inhexagonal symmetry compared to the small clusters of other members which arefound to stabilize in icosahedral symmetry based structure. Our study revealsthat this is driven by the interplay between the magnetic energy gain and thegain in covalency through $s$-$d$ hybridization effect. Although we havefocused our study primarily on clusters of size 19 atoms, we find that thisbehavior to be general for clusters having sizes between 15 and 20.

Ab initio study of structural stability of small 3$d$ late transition metal clusters : Interplay of magnetization and hybridization