| ZnO和Y掺杂ZnO薄膜磁性的研究 |
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| 引用本文： | 蓝志环,闫羽.ZnO和Y掺杂ZnO薄膜磁性的研究[J].纳米科技,2009,6(5):23-26. |
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| 作者姓名： | 蓝志环 闫羽 |
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| 作者单位： | [1]空军航空大学航空军械工程系,吉林长春130020 [2]吉林大学物理学院,吉林长春130023 |
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| 摘 要： | 用基于密度泛函理论的全势线性缀加平面波方法和模拟缺陷结构的超原胞的方法，通过计算比较ZnO、Zn15Y1O16Zn16O15、Zn15O16和Zn14Y1O16五个体系的自旋极化电子态密度，分析了O空位和Zn空位两种点缺陷对Y掺杂ZnO薄膜磁性的贡献，计算结果表明，氧化锌和钇掺杂氧化锌薄膜的磁性都来源于Zn空位周围被极化的O原子。
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| 关 键 词： | ZnO薄膜 磁性 密度泛函理论 |
Research on the Magnetism Characteristics of ZnO and Y-doped ZnO Films |
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| Authors: | LAN Zhi-huan YAN Yu |
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| Affiliation: | 1. Department of Aviation Ordnance Engineering, Air Force Aviation University, Changchun 130020, China;2.Department of Physics,Jilin University, Changchun 130023, China) |
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| Abstract: | To research on the magnetism characteristic of ZnO and Y-doped ZnO fihns, full-potential linearized augmented plane-wave method based on the state-of-art DFT （Density Functional Theory） were employed. The influence of the intrinsic defects such as Vo and Vz, on the magnetism of ZnO film was analysed. The results show the magnetism characteristics of ZnO and Y-doped ZnO films are all brought from the spin-polarized O atoms around Zn vacancy. |
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| Keywords: | ZnO thin film Magnetism Density Functional Theory |
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