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Configurations, Electronic Structure and Magnetic Ordering of Small Manganese Clusters |
| MA Qing-Min1,2;XIE Zun1;LIU Ying1,2;LI You-Cheng1 |
| 1Department of Physics, Hebei Normal University, Shijiazhuang 0500162National Key Laboratory for Materials Simulation and Design, Beijing100080 |
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| Cite this article: |
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MA Qing-Min, XIE Zun, LIU Ying et al 2007 Chin. Phys. Lett. 24 1908-1911 |
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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.
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| Keywords:
36.40.-c
36.40.Cg
31.15.Ew
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Received: 22 March 2007
Published: 25 June 2007
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