| Anomalous radial and angular strain relaxation around dilute p-, isoelectronic-, and n-type dopants in si crystal | |
| Zhao, Mingshu1; Dong, Juncai2; Chen, Dongliang2 | |
| 刊名 | Physica b-condensed matter
 |
| 2017-02-01 | |
| 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 |
| 通讯作者 | Dong, juncai(dongjc@ihep.ac.cn) |
| 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. |
| WOS关键词 | ELECTRON LOCALIZATION ; SEMICONDUCTOR ALLOYS ; SILICON ; DISTORTIONS ; IMPURITIES ; TRANSITION |
| WOS研究方向 | Physics |
| WOS类目 | Physics, Condensed Matter |
| 语种 | 英语 |
| 出版者 | ELSEVIER SCIENCE BV |
| WOS记录号 | WOS:000398052500030 |
| 内容类型 | 期刊论文 |
| URI标识 | http://www.corc.org.cn/handle/1471x/2176703 |
| 专题 | 高能物理研究所 |
| 通讯作者 | Dong, Juncai |
| 作者单位 | 1.Univ Sci & Technol China, Sch Phys Sci, Hefei 230026, Anhui, Peoples R China 2.Chinese Acad Sci, Inst High Energy Phys, Beijing Synchrotron Radiat Facil, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhao, Mingshu,Dong, Juncai,Chen, Dongliang. 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 | Zhao, Mingshu,Dong, Juncai,&Chen, Dongliang.(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 | Zhao, Mingshu,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. |
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