| 稀磁半导体MnTe和CrTe的微观结构及电磁性能 |
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| 引用本文： | 徐强,杨光敏,邢光宗.稀磁半导体MnTe和CrTe的微观结构及电磁性能[J].吉林大学学报(理学版),2015,53(3):553-560. |
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| 作者姓名： | 徐强 杨光敏 邢光宗 |
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| 作者单位： | 1. 长春工程学院 勘查与测绘工程学院, 长春 130021; 2. 长春师范大学 物理学院, 长春 130032;3. 吉林大学 材料科学与工程学院, 长春 130012 |
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| 基金项目： | 吉林省教育厅“十二五”科学技术研究项目(批准号:2014-250);吉林省自然科学基金(批准号:2014-0101061JC) |
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| 摘 要： | 基于密度泛函理论的VASP软件包,研究CrTe和MnTe晶胞的稳定性和电磁性能,并对比具有相同结构的CrTe和MnTe在稳定性和电磁性能方面的差异.结果表明,稳态的CrTe为具有NiAs结构的铁磁体,其闪锌矿结构(ZB)、纤锌矿结构(W)和岩盐结构(RS)为亚稳态结构,该亚稳态结构均为半金属性质.
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| 关 键 词： | 稀磁半导体 第一性原理 能带结构 磁性 |
| 收稿时间： | 2014-12-21 |
Microstructure and Electromagnetism Properties of MnTe and CrTe Diluted Magnetic Semiconductor |
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| XU Qiang
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YANG Guangmin
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XING Guangzong.Microstructure and Electromagnetism Properties of MnTe and CrTe Diluted Magnetic Semiconductor[J].Journal of Jilin University: Sci Ed,2015,53(3):553-560. |
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| Authors: | XU Qiang YANG Guangmin XING Guangzong |
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| Institution: | 1. School of Prospecting and Surveying, Changchun Institute of Technology, Changchun 130021, China;2. College of Physics, Changchun Normal University, Changchun 130032, China;3. College of Materials Science and Engineering, Jilin University, Changchun 130012, China |
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| Abstract: | Diluted magnetic semiconductors (DMS) which are used asspin electron devices have been researched popularly because of their excellent electronic and magnetic properties. We used VASP code based on the density functional theory to calculate the stability, electronic and magnetic properties ofthe unit cell of CrTe,MnTe and compared the stability, electric and magnetic properties of CrTe with those of MnTe with the same structure as that of CrTe.We found that the stable state of CrTe exibits the NiAs type hexagonal structure. The metastable state of it displays three structures called zinc blende structure, wurtzite structure and rock salt structure, the three structures are all half metallic properties. |
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| Keywords: | diluted magnetic semiconductors the first principle band structure magnesium |
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