Half-metallic silicon nanowires: multiple surface dangling bonds and nonmagnetic doping
文献类型：期刊论文
| 作者 | Xu, Zhuo; Yan, Qing-Bo; Zheng, Qing-Rong; Su, Gang |
| 刊名 | Physical review b
 |
| 出版日期 | 2009-08-01 |
| 卷号 | 80期号:8页码:4 |
| 关键词 | Ab initio calculations Dangling bonds Density functional theory Elemental semiconductors Ground states Nanowires Semiconductor doping Semiconductor quantum wires Silicon |
| ISSN号 | 1098-0121 |
| DOI | 10.1103/physrevb.80.081306 |
| 通讯作者 | Su, gang(gsu@gucas.ac.cn) |
| 英文摘要 | By means of first-principles density functional theory calculations, we find that hydrogen-passivated ultrathin silicon nanowires (sinws) along the [100] direction with symmetrical multiple surface dangling bonds (sdbs) and boron doping can have a half-metallic ground state with 100% spin polarization, where the half-metallicity is shown to be quite robust against external electric fields. under the circumstances with various sdbs, the h-passivated sinws can also be ferromagnetic or antiferromagnetic semiconductors. the present study not only offers a possible route to engineer half-metallic sinws without containing magnetic atoms but also sheds light on manipulating spin-dependent properties of nanowires through surface passivation. |
| WOS研究方向 | Physics |
| WOS类目 | Physics, Condensed Matter |
| 语种 | 英语 |
| WOS记录号 | WOS:000269639300016 |
| 出版者 | AMER PHYSICAL SOC |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2402783 |
| 专题 | 中国科学院大学 |
| 通讯作者 | Su, Gang |
| 作者单位 | Chinese Acad Sci, Grad Univ, Coll Phys Sci, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xu, Zhuo,Yan, Qing-Bo,Zheng, Qing-Rong,et al. Half-metallic silicon nanowires: multiple surface dangling bonds and nonmagnetic doping[J]. Physical review b,2009,80(8):4. |
| APA | Xu, Zhuo,Yan, Qing-Bo,Zheng, Qing-Rong,&Su, Gang.(2009).Half-metallic silicon nanowires: multiple surface dangling bonds and nonmagnetic doping.Physical review b,80(8),4. |
| MLA | Xu, Zhuo,et al."Half-metallic silicon nanowires: multiple surface dangling bonds and nonmagnetic doping".Physical review b 80.8(2009):4. |
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来源：中国科学院大学
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