Anomalous radial and angular strain relaxation around dilute p-, isoelectronic-, and n-type dopants in Si crystal
文献类型：期刊论文
| 作者 | Dong, JC ; Chen DL(陈栋梁); Dong JC(董俊才); Zhao, MS; Chen, DL
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| 刊名 | PHYSICA B-CONDENSED MATTER
 |
| 出版日期 | 2017 |
| 卷号 | 506页码:198-204 |
| 关键词 | Silicon doping Local lattice distortion Strain relaxation mechanism Charge localization DFT |
| ISSN号 | 0921-4526 |
| DOI | 10.1016/j.physb.2016.11.028 |
| 文献子类 | Article |
| 英文摘要 | Doping is widely applied in yielding desirable properties and functions in silicon technology; thus, fully understanding the relaxation mechanism for lattice-mismatch strain is of fundamental importance. Here we systematically study the local lattice distortion near dilute IIIA-, IVA-, and VA-group substitutional dopants in Si crystal using density functional theory, and anomalous radial and angular strain relaxation modes are first revealed. Both the nearest-neighbor (NN) bond-distances and the tetrahedral bond-angles are found to exhibit completely opposite dependence on the electronic configurations for the low Z (Z < 26) and high Z (Z > 26) dopants. More surprisingly, negative and positive angular shifts for the second NN twelve Si2 atoms are unveiled surrounding the p- and n-type dopants, respectively. While electron localization function shows that the doped hole and electron are highly localized near the dopants, hence being responsible for the abnormal angular shifts, a universal radial strain relaxation mechanism dominated by a competition of the Coulomb interactions among the ion-core, bond-charge, and the localized hole or electron is also proposed. These findings may prove to be instrumental in precise design of silicon-based solotronics. |
| 电子版国际标准刊号 | 1873-2135 |
| WOS关键词 | ELECTRON LOCALIZATION ; SEMICONDUCTOR ALLOYS ; SILICON ; DISTORTIONS ; IMPURITIES ; TRANSITION |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000398052500030 |
| 源URL | [http://ir.ihep.ac.cn/handle/311005/284912]  |
| 专题 | 高能物理研究所_多学科研究中心 |
| 作者单位 | 中国科学院高能物理研究所 |
| 推荐引用方式 GB/T 7714 | Dong, JC,Chen DL,Dong JC,et al. Anomalous radial and angular strain relaxation around dilute p-, isoelectronic-, and n-type dopants in Si crystal[J]. PHYSICA B-CONDENSED MATTER,2017,506:198-204. |
| APA | Dong, JC,陈栋梁,董俊才,Zhao, MS,&Chen, DL.(2017).Anomalous radial and angular strain relaxation around dilute p-, isoelectronic-, and n-type dopants in Si crystal.PHYSICA B-CONDENSED MATTER,506,198-204. |
| MLA | Dong, JC,et al."Anomalous radial and angular strain relaxation around dilute p-, isoelectronic-, and n-type dopants in Si crystal".PHYSICA B-CONDENSED MATTER 506(2017):198-204. |
入库方式： OAI收割
来源：高能物理研究所
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