| Cr元素掺杂碳化硅导致铁磁性的第一性原理研究 |
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| 引用本文： | 唐盛安,张根发,毛飞.Cr元素掺杂碳化硅导致铁磁性的第一性原理研究[J].南华大学学报(自然科学版),2020,34(6):73-77. |
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| 作者姓名： | 唐盛安 张根发 毛飞 |
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| 作者单位： | 南华大学 核科学技术学院,湖南 衡阳421001;南华大学 核科学技术学院,湖南 衡阳421001;南华大学 核科学技术学院,湖南 衡阳421001 |
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| 基金项目： | 国家自然科学基金资助项目(11975119; 11505092);湖南省教育厅科学研究项目(18B261) |
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| 摘 要： | 基于第一性原理研究了Cr元素掺杂3C-SiC的电子结构和磁性,揭示了Cr元素掺杂3C-SiC的磁矩形成以及铁磁耦合的微观物理机制,发现同时引入N元素后Cr元素掺杂3C-SiC的形成能大幅降低,并对其形成能降低的机理进行了系统的讨论,给出了合理的解释,在过渡金属掺杂时引入N元素能够显著地降低磁性杂质的形成能。
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| 关 键 词： | 稀磁半导体 第一性原理 电子结构 室温铁磁性 形成能 |
| 收稿时间： | 2020/6/23 0:00:00 |
Study of the Ferromagnetism of Cr Doped SiC Based on First-Principles Calculations |
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| TANG Shengan,ZHAGN Genf,MAO Fei.Study of the Ferromagnetism of Cr Doped SiC Based on First-Principles Calculations[J].Journal of Nanhua University:Science and Technology,2020,34(6):73-77. |
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| Authors: | TANG Shengan ZHAGN Genf MAO Fei |
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| Institution: | School of Nuclear Science and Technology,University of South China,Hengyang,Hunan 421001,China |
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| Abstract: | In this paper,the electronic structure and magnetic properties of Cr doped 3C-SiC are studied based on the first-principles calculations.The mechanism for magnetism formation and ferromagnetic coupling of Cr doped 3C-SiC is revealed,and found that the formation energy of Cr doped 3C-SiC is greatly reduced by the introduction of N atoms.The mechanism for the lower formation energy of Cr-N codoped 3C-SiC is systematically discussed,and a reasonable explanation is given in the paper.The formation energy of TM doped 3C-SiC is significantly decreased by the introduction of N impurity. |
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| Keywords: | diluted magnetic semiconductor first-principles electronic structure room temperature ferromagnetism formation energy |
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