The formation and electronic structures of 3d transition-metal atoms doped in silicon nanowires
文献类型：期刊论文
| 作者 | Xu, Q ; Li, JB ; Li, SS ; Xia, JB |
| 刊名 | journal of applied physics
 |
| 出版日期 | 2008 |
| 卷号 | 104期号:8页码:art. no. 084307 |
| 关键词 | EXCHANGE INTERACTION SEMICONDUCTORS GAAS ENERGIES DOTS MN |
| ISSN号 | 0021-8979 |
| 通讯作者 | xu, q, chinese acad sci, inst semicond, state key lab superlattices & microstruct, pob 912, beijing 100083, peoples r china. 电子邮箱地址: jbli@semi.ac.cn |
| 中文摘要 | using first-principles methods, we systematically study the mechanism of defect formation and electronic structures for 3d transition-metal impurities (v, cr, mn, fe, and co) doped in silicon nanowires. we find that the formation energies of 3d transition-metal impurities with electrons or holes at the defect levels always increase as the diameters of silicon nanowires decrease, which suggests that self-purification, i.e., the difficulty of doping in silicon nanowires, should be an intrinsic effect. the calculated results show that the defect formation energies of mn and fe impurities are lower than those of v, cr, and co impurities in silicon nanowires. it indicates that mn and fe can easily occupy substitutional site in the interior of silicon nanowires. moreover, they have larger localized moments, which means that they are good candidates for si-based dilute magnetic semiconductor nanowires. the doping of mn and fe atom in silicon nanowires introduces a pair of energy levels with t(2) symmetry. one of which is dominated by 3d electrons of mn or fe, and the other by neighboring dangling bonds of si vacancies. in addition, a set of nonbonding states localized on the transition-metal atom with e symmetry is also introduced. (c) 2008 american institute of physics. [doi: 10.1063/1.3000445] |
| 学科主题 | 半导体物理 |
| 收录类别 | SCI |
| 资助信息 | chinese academy of sciences national natural science foundation of china major state basic research project ntu 0421010077 the authors would like to thank dr. su-huai wei and professor wei-jun fan for helpful discussions. j. l. gratefully acknowledges financial support from the "one-hundred talents plan" of the chinese academy of sciences. this work was supported by the national natural science foundation of china and the special funds for major state basic research project. the work at ntu was supported by astar grant no. 0421010077. |
| 语种 | 英语 |
| 公开日期 | 2010-03-08 |
| 源URL | [http://ir.semi.ac.cn/handle/172111/6352]  |
| 专题 | 半导体研究所_中国科学院半导体研究所（2009年前） |
| 推荐引用方式 GB/T 7714 | Xu, Q,Li, JB,Li, SS,et al. The formation and electronic structures of 3d transition-metal atoms doped in silicon nanowires[J]. journal of applied physics,2008,104(8):art. no. 084307. |
| APA | Xu, Q,Li, JB,Li, SS,&Xia, JB.(2008).The formation and electronic structures of 3d transition-metal atoms doped in silicon nanowires.journal of applied physics,104(8),art. no. 084307. |
| MLA | Xu, Q,et al."The formation and electronic structures of 3d transition-metal atoms doped in silicon nanowires".journal of applied physics 104.8(2008):art. no. 084307. |
入库方式： OAI收割
来源：半导体研究所
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