| 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.[TANG Shengan,ZHAGN Genfa,MAO Fei.Study of the Ferromagnetism of Cr Doped SiC Based on First-Principles Calculations[J].Journal of University of South China(Science and Technology),2020,34(6):73~77.] |
| Cr元素掺杂碳化硅导致铁磁性的第一性原理研究 |
| Study of the Ferromagnetism of Cr Doped SiC Based on First-Principles Calculations |
| 投稿时间：2020-06-23 |
| DOI： |
| 中文关键词: 稀磁半导体 第一性原理 电子结构 室温铁磁性 形成能 |
| 英文关键词:diluted magnetic semiconductor first-principles electronic structure room temperature ferromagnetism formation energy |
| 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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| 中文摘要: |
| 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。 |
| 英文摘要: |
| 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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