| The electronic and magnetic properties of （Mn,C）-codoped ZnO diluted magnetic semiconductor |
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| 引用本文： | 赵龙,芦鹏飞,俞重远,马世甲,丁路,刘建涛.The electronic and magnetic properties of （Mn,C）-codoped ZnO diluted magnetic semiconductor[J].中国物理 B,2012,21(9):97103-097103. |
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| 作者姓名： | 赵龙 芦鹏飞 俞重远 马世甲 丁路 刘建涛 |
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| 作者单位： | Key Laboratory of Information Photonics and Optical Communications of Ministry of Education, Beijing University of Posts and Telecommunications, Beijing 100876, China |
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| 基金项目： | Project supported by Beijing University of Posts and Telecommunications Excellent Ph.D. Student Foundation, China （Grant No. CX201114）, the National Natural Science Foundation of China （Grant No. 61102024）, and the Fundamental Research Funds for the Central Universities of China （Grant No. 2012RC0401）. |
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| 摘 要： | The electronic and magnetic properties of (Mn,C)-codoped ZnO are studied in the Perdew-Burke-Ernzerhof form of generalized gradient approximation of the density functional theory. By investigating five geometrical configurations, we find that Mn doped ZnO exhibits anti-ferromagnetic or spin-glass behaviour, and there are no carriers to mediate the long range ferromagnetic (FM) interaction without acceptor co-doping. We observe that the FM interaction for (Mn,C)-codoped ZnO is due to the hybridization between C 2p and Mn 3d states, which is strong enough to lead to hole-mediated ferromagnetism at room temperature. Meanwhile, we demonstrate that ZnO co-doped with Mn and C has a stable FM ground state and show that the (Mn,C)-codoped ZnO is FM semiconductor with super-high Curie temperature (T C = 5475 K). These results are conducive to the design of dilute magnetic semiconductors with codopants for spintronics applications.
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| 关 键 词： | density functional theory electronic structure magnetism Curie temperature |
| 收稿时间： | 2012-01-09 |
The electronic and magnetic properties of (Mn,C)-codoped ZnO diluted magnetic semiconductor |
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| Zhao Long,Lu Peng-Fei,Yu Zhong-Yuan,Ma Shi-Jia,Ding Lu,Liu Jian-Tao.The electronic and magnetic properties of (Mn,C)-codoped ZnO diluted magnetic semiconductor[J].Chinese Physics B,2012,21(9):97103-097103. |
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| Authors: | Zhao Long Lu Peng-Fei Yu Zhong-Yuan Ma Shi-Jia Ding Lu Liu Jian-Tao |
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| Institution: | Key Laboratory of Information Photonics and Optical Communications of Ministry of Education, Beijing University of Posts and Telecommunications, Beijing 100876, China |
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| Abstract: | The electronic and magnetic properties of (Mn,C)-codoped ZnO are studied in the Perdew-Burke-Ernzerhof form of generalized gradient approximation of the density functional theory. By investigating five geometrical configurations, we find that Mn doped ZnO exhibits anti-ferromagnetic or spin-glass behaviour, and there are no carriers to mediate the long range ferromagnetic (FM) interaction without acceptor co-doping. We observe that the FM interaction for (Mn,C)-codoped ZnO is due to the hybridization between C 2p and Mn 3d states, which is strong enough to lead to hole-mediated ferromagnetism at room temperature. Meanwhile, We demonstrate that ZnO co-doped with Mn and C has a stable FM ground state and show that the (Mn,C)-codoped ZnO is FM semiconductor with super-high Curie temperature (TC=5475 K). These results are conducive to the design of dilute magnetic semiconductors with codopants for spintronics applications. |
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| Keywords: | density functional theory electronic structure magnetism Curie temperature |
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