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We investigate the structures and magnetic properties of small Mnn clusters in the size range of 2–13 atoms using first-principles density functional theory. We arrive at the lowest energy structures for clusters in this size range by simultaneously optimizing the cluster geometries, total spins, and relative orientations of individual atomic moments. The results for the net magnetic moments for the optimal clusters are in good agreement with experiment. The magnetic behavior of Mnn clusters in the size range studied in this work ranges from ferromagnetic ordering large net cluster moment for the smallest (n 2, 3, and 4 clusters to a near degeneracy between ferromagnetic and antiferromagnetic solutions in the vicinity of n 5 and 6 to a clear preference for antiferromagnetic small net cluster moment ordering at n 7 and beyond. We study the details of this evolution and present a picture in which bonding in these clusters …