| Electronic structure and magnetic properties of （Mn,N）-codoped ZnO |
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| 引用本文： | 王前进,王金斌,钟向丽,谭秋红,刘应开. Electronic structure and magnetic properties of （Mn,N）-codoped ZnO[J]. 中国物理 B, 2014, 0(12): 132-136 |
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| 作者姓名： | 王前进 王金斌 钟向丽 谭秋红 刘应开 |
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| 作者单位： | College of Physics and Electronic Information, Yunnan Normal University;Faculty of Materials, Optoelectronics and Physics, Xiangtan University |
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| 基金项目： | Project supported by the National Natural Science Foundation of China(Grant Nos.11304273,10764005,11164034,11072208,and 11032010);the Yunnan Provincial Natural Science Foundation,China(Grant No.2010DC053);the Scientific Research Foundation for Ph.D.Student of Yunnan Normal University |
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| 摘 要： | The electronic structures and magnetic properties of（Mn, N）-codoped Zn O are investigated by using the firstprinciples calculations. In the ferromagnetic state, as N substitutes for the intermediate O atom of the nearest neighboring Mn ions, about 0.5 electron per Mn^2＋ion transfers to the N^2-ion, which leads to the high-state Mn ions（close to ＋2.5）and trivalent N3-ions. In an antiferromagnetic state, one electron transfers to the N2-ion from the downspin Mn2＋ion,while no electron transfer occurs for the upspin Mn^2＋ion. The（Mn, N）-codoped Zn O system shows ferromagnetism,which is attributed to the hybridization between Mn 3d and N 2p orbitals.
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| 关 键 词： | 电子结构 锰离子 磁性能 ZnO 离子转移 共掺 反铁磁性 电子转移 |
Electronic structure and magnetic properties of (Mn,N)-codoped ZnO |
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| Wang Qian-Jin;Wang Jin-Bin;Zhong Xiang-Li;Tan Qiu-Hong;Liu Ying-Kai. Electronic structure and magnetic properties of (Mn,N)-codoped ZnO[J]. Chinese Physics B, 2014, 0(12): 132-136 |
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| Authors: | Wang Qian-Jin Wang Jin-Bin Zhong Xiang-Li Tan Qiu-Hong Liu Ying-Kai |
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| Affiliation: | Wang Qian-Jin;Wang Jin-Bin;Zhong Xiang-Li;Tan Qiu-Hong;Liu Ying-Kai;College of Physics and Electronic Information, Yunnan Normal University;Faculty of Materials, Optoelectronics and Physics, Xiangtan University; |
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| Abstract: | first-principles calculations ferromagnetism hybridization |
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| Keywords: | first-principles calculations ferromagnetism hybridization |
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