| 氮掺杂(1120) ZnO 薄膜磁性质研究 |
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| 引用本文： | 李明标,张天羡,史力斌.氮掺杂(1120) ZnO 薄膜磁性质研究[J].物理学报,2011,60(9):97504-097504. |
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| 作者姓名： | 李明标 张天羡 史力斌 |
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| 作者单位： | 渤海大学数理学院,锦州 121013 |
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| 基金项目： | 辽宁省教育厅项目(批准号:L2010003)资助的课题. |
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| 摘 要： | 采用基于密度泛函理论(DFT)和局域密度近似(LDA)的第一性原理分析了氮掺杂(1120) ZnO 薄膜的磁性质.首先,研究了一个N原子掺杂ZnO薄膜的磁性质,结果表明N 2p,O 2p和Zn 3d 发生自发自旋极化.其次,研究了二个N原子掺杂ZnO薄膜的磁性质,9个不同几何结构的计算结果表明N原子之间具有FM耦合稳定性,而且具体分析了N掺杂ZnO铁磁稳定性的产生原因.最后,讨论了氮
关键词：
第一性原理
半导体
铁磁性
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| 关 键 词： | 第一性原理 半导体 铁磁性 |
| 收稿时间： | 2010-10-22 |
Magnetic properties of N-doped(11 2 0) ZnO thin films |
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| Li Ming-Biao,Zhang Tian-Xian and Shi Li-Bin.Magnetic properties of N-doped(11 2 0) ZnO thin films[J].Acta Physica Sinica,2011,60(9):97504-097504. |
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| Authors: | Li Ming-Biao Zhang Tian-Xian and Shi Li-Bin |
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| Institution: | School of Mathematics and Physics, Bohai University, Jinzhou 121013, China;School of Mathematics and Physics, Bohai University, Jinzhou 121013, China;School of Mathematics and Physics, Bohai University, Jinzhou 121013, China |
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| Abstract: | By using the first principles method based on the density function theory (DFT) and the local density approximation (LDA), we study the ferromagnetic properties in N-doped(1120) ZnO thin films. Magnetic properties in one-N-doped ZnO are investigated. The spontaneous spin polarization comes from N 2p, O 2p and Zn 3d. Magnetic properties in two-N-doped ZnO are also investigated. The calculated results show that ferromagnetism (FM) coupling between N atoms is more energetically favorable for nine geometrically distinct configurations. The origin of the FM state in N-doped ZnO is also discussed by analyzing the coupling of N levels. Finally, the magnetic exchange coefficient and the Curie temperature are discussed. The result indicates that N-doped ZnO thin films show weak FM properties. |
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| Keywords: | the first principles semiconductor ferromagnetism |
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