Configurations, Electronic Structure and Magnetic Ordering of Small Manganese Clusters

We investigate the configurations, electronic structures, and magnetic ordering of MnN (N=2--13) clusters based on all-electron density functional theory. The Jahn--Teller effect plays an important role in determining theground state of certain geometries. The magnetic ordering of the MnN clusters transits from ferromagnetic ordering for the smallest (N=2, 3) clusters to a near degeneracy state including ferromagnetic and ferrimagnetic ordering in the vicinity of N=4--6 and to a clear ferrimagnetic ordering at N=7 or beyond.N=6 and 10 are the magic numbers for neutral MnN (N=2--13) clusters.