摘要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 the ground 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.
Abstract：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 the ground 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.
MA Qing-Min;XIE Zun;LIU Ying;LI You-Cheng. Configurations, Electronic Structure and Magnetic Ordering of Small Manganese Clusters[J]. 中国物理快报, 2007, 24(7): 1908-1911.
MA Qing-Min, XIE Zun, LIU Ying, LI You-Cheng. Configurations, Electronic Structure and Magnetic Ordering of Small Manganese Clusters. Chin. Phys. Lett., 2007, 24(7): 1908-1911.
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