| Configurations, Electronic Structure and Magnetic Ordering of Small Manganese Clusters |
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| 引用本文： | 马庆敏 谢尊 刘英 李有成. Configurations, Electronic Structure and Magnetic Ordering of Small Manganese Clusters[J]. 中国物理快报, 2007, 24(7): 1908-1911 |
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| 作者姓名： | 马庆敏 谢尊 刘英 李有成 |
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| 作者单位： | [1]Department of Physics, Hebei Normal University, Shiiiazhuang 050016 [2]Nation＇al Key Laboratory for Materials Simulation and Design, Beijing 100080 |
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| 基金项目： | Supported by the National Natural Science Foundation of China under Grant No 10574036, the National Basic Research Program of China under Grant No 2006CB605101, the Natural Science Foundation of Hebei Province （No A2005000143）, and the Hebei Doctorial Foundation （03547008D and B2004115）. |
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| 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 dusters transits from ferromagnetic ordering for the smallest （ N = 2, 3） dusters 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 neutrai MnN （N = 2-13） dusters.
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| 关 键 词： | 配置 电子结构 磁铁 有序化 |
| 收稿时间： | 2007-03-22 |
| 修稿时间： | 2007-03-11 |
Configurations, Electronic Structure and Magnetic Ordering of Small Manganese Clusters |
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| MA Qing-Min,XIE Zun,LIU Ying,LI You-Cheng. Configurations, Electronic Structure and Magnetic Ordering of Small Manganese Clusters[J]. Chinese Physics Letters, 2007, 24(7): 1908-1911 |
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| Authors: | MA Qing-Min XIE Zun LIU Ying LI You-Cheng |
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| Affiliation: | Department of Physics, Hebei Normal University, Shijiazhuang 050016National Key Laboratory for Materials Simulation and Design, Beijing100080 |
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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 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. |
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| Keywords: | 36.40.-c 36.40.Cg 31.15.Ew |
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