Tuning magnetism in transition-metal-doped 3c silicon carbide polytype
文献类型：期刊论文
| 作者 | Zhou, Jing2; Li, Haiming2; Zhang, Linjuan2; Cheng, Jie3; Zhao, Haifeng2; Chu, Wangsheng2; Yang, Jinlong1; Luo, Yi1,3; Wu, Ziyu2,3 |
| 刊名 | Journal of physical chemistry c
 |
| 出版日期 | 2011-01-13 |
| 卷号 | 115期号:1页码:253-256 |
| ISSN号 | 1932-7447 |
| DOI | 10.1021/jp105121y |
| 通讯作者 | Yang, jinlong(jlyang@ustc.edu.cn) |
| 英文摘要 | Structural and magnetic properties of 3d transition-metal-doped silicon carbide in cubic (3c) polytype have been systematically studied from first principles to reconcile conflicting experimental findings. the most energetically favorable structures fall in two distinct sets depending on the character of the 3d transition metal and the si atomic chemical potential. the structure of substitutional tm(si) is the most stable one for early transition metals like ti, v, cr, and mn, while the clustering of tm(si)-tm(i) dimers formed by the neighboring substitutional tm(si) and interstitial tm(i) is energetically favored for late transition metals such as co, ni, and cu. for fe, the most stable structure is the substitutional configuration under c-rich conditions, while under si-rich conditions the clustering of the fe(si)-f(ei) dimer is energetically favored. it is found in the doped silicon carbide that the co dimer is nonmagnetic, while both ni and cu atoms interact ferromagnetically and make the whole doped system half metallic. fe atoms show a ferrimagnetic order with a local magnetic moment of 2.0 and -0.34 mu(b) at substitutional and interstitial sites, respectively. such intrinsically tunable magnetic properties of 3d transition-metal-doped silicon carbide could find many exciting potential applications in spintronics. |
| WOS关键词 | ELECTRONIC-STRUCTURE ; FERROMAGNETISM ; SEMICONDUCTORS ; ZNO |
| WOS研究方向 | Chemistry ; Science & Technology - Other Topics ; Materials Science |
| WOS类目 | Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary |
| 语种 | 英语 |
| 出版者 | AMER CHEMICAL SOC |
| WOS记录号 | WOS:000285818200035 |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2176100 |
| 专题 | 高能物理研究所 |
| 通讯作者 | Yang, Jinlong |
| 作者单位 | 1.Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China 2.Chinese Acad Sci, Inst High Energy Phys, Beijing Synchrotron Radiat Facil, Beijing 100049, Peoples R China 3.Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230026, Anhui, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhou, Jing,Li, Haiming,Zhang, Linjuan,et al. Tuning magnetism in transition-metal-doped 3c silicon carbide polytype[J]. Journal of physical chemistry c,2011,115(1):253-256. |
| APA | Zhou, Jing.,Li, Haiming.,Zhang, Linjuan.,Cheng, Jie.,Zhao, Haifeng.,...&Wu, Ziyu.(2011).Tuning magnetism in transition-metal-doped 3c silicon carbide polytype.Journal of physical chemistry c,115(1),253-256. |
| MLA | Zhou, Jing,et al."Tuning magnetism in transition-metal-doped 3c silicon carbide polytype".Journal of physical chemistry c 115.1(2011):253-256. |
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来源：高能物理研究所
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