Donor-donor binding in In2O3: Engineering shallow donor levels
文献类型：期刊论文
| ; | |
| 作者 | Tang LM (Tang Li-Ming); Wang LL (Wang Ling-Ling); Wang D (Wang Dan); Liu JZ (Liu Jian-Zhe); Chen KQ (Chen Ke-Qiu); Tang, LM, Hunan Univ, Sch Phys & Microelect, Minist Educ, Key Lab Micro Nano Optoelect Devices, Changsha 410082, Hunan, Peoples R China. 电子邮箱地址: lmtang@semi.ac.cn |
| 刊名 | journal of applied physics
 ; JOURNAL OF APPLIED PHYSICS
|
| 出版日期 | 2010 ; 2010 |
| 卷号 | 107期号:8页码:art. no. 083704 |
| 关键词 | AUGMENTED-WAVE METHOD Augmented-wave Method Electronic-structure Semiconductors Films Znse Znte ELECTRONIC-STRUCTURE SEMICONDUCTORS FILMS ZNSE ZNTE |
| 通讯作者 | tang, lm, hunan univ, sch phys & microelect, minist educ, key lab micro nano optoelect devices, changsha 410082, hunan, peoples r china. 电子邮箱地址: lmtang@semi.ac.cn |
| 合作状况 | 国内 |
| 英文摘要 | using first-principles band structure methods, we investigate the interactions between different donors in in2o3. through the formation energy and transition energy level calculations, we find that an oxygen-vacancy creates a deep donor level, while an indium-interstitial or a tin-dopant induces a shallow donor level. the coupling between these donor levels gives rise to even shallower donor levels and leads to a significant reduction in their formation energies. based on the analysis of the pbe0-corrected band structure and the molecular-orbital bonding diagram, we demonstrate these effects of donor-donor binding. in addition, total energy calculations show that these defect pairs tend to be more stable with respect to the isolated defects due to their negative binding energies. thus, we may design shallow donor levels to enhance the electrical conductivity via the donor donor binding.; Using first-principles band structure methods, we investigate the interactions between different donors in In2O3. Through the formation energy and transition energy level calculations, we find that an oxygen-vacancy creates a deep donor level, while an indium-interstitial or a tin-dopant induces a shallow donor level. The coupling between these donor levels gives rise to even shallower donor levels and leads to a significant reduction in their formation energies. Based on the analysis of the PBE0-corrected band structure and the molecular-orbital bonding diagram, we demonstrate these effects of donor-donor binding. In addition, total energy calculations show that these defect pairs tend to be more stable with respect to the isolated defects due to their negative binding energies. Thus, we may design shallow donor levels to enhance the electrical conductivity via the donor donor binding.; submitted by 阎军 (yanj@red.semi.ac.cn) on 2010-05-24t05:46:30z no. of bitstreams: 1 donor-donor binding in in2o3 engineering shallow donor levels.pdf: 350529 bytes, checksum: 79b03a138399b28b6902c90119e01fe7 (md5); approved for entry into archive by 阎军(yanj@red.semi.ac.cn) on 2010-05-24t07:16:18z (gmt) no. of bitstreams: 1 donor-donor binding in in2o3 engineering shallow donor levels.pdf: 350529 bytes, checksum: 79b03a138399b28b6902c90119e01fe7 (md5); made available in dspace on 2010-05-24t07:16:18z (gmt). no. of bitstreams: 1 donor-donor binding in in2o3 engineering shallow donor levels.pdf: 350529 bytes, checksum: 79b03a138399b28b6902c90119e01fe7 (md5) previous issue date: 2010; national natural science foundation of china 60871065 90606001 china postdoctoral science foundation; 国内 |
| 学科主题 | 半导体物理 ; 半导体物理 |
| 收录类别 | SCI |
| 资助信息 | national natural science foundation of china 60871065 90606001 china postdoctoral science foundation |
| 语种 | 英语 ; 英语 |
| 资助机构 | National Natural Science Foundation of China 60871065 90606001 China Postdoctoral Science Foundation |
| 公开日期 | 2010-05-24 ; 2010-05-24 ; 2010-10-15 |
| 源URL | [http://ir.semi.ac.cn/handle/172111/11233]  |
| 专题 | 半导体研究所_半导体超晶格国家重点实验室 |
| 通讯作者 | Tang, LM, Hunan Univ, Sch Phys & Microelect, Minist Educ, Key Lab Micro Nano Optoelect Devices, Changsha 410082, Hunan, Peoples R China. 电子邮箱地址: lmtang@semi.ac.cn |
| 推荐引用方式 GB/T 7714 | Tang LM ,Wang LL ,Wang D ,et al. Donor-donor binding in In2O3: Engineering shallow donor levels, Donor-donor binding in In2O3: Engineering shallow donor levels[J]. journal of applied physics, JOURNAL OF APPLIED PHYSICS,2010, 2010,107, 107(8):art. no. 083704, Art. No. 083704. |
| APA | Tang LM ,Wang LL ,Wang D ,Liu JZ ,Chen KQ ,&Tang, LM, Hunan Univ, Sch Phys & Microelect, Minist Educ, Key Lab Micro Nano Optoelect Devices, Changsha 410082, Hunan, Peoples R China. 电子邮箱地址: lmtang@semi.ac.cn.(2010).Donor-donor binding in In2O3: Engineering shallow donor levels.journal of applied physics,107(8),art. no. 083704. |
| MLA | Tang LM ,et al."Donor-donor binding in In2O3: Engineering shallow donor levels".journal of applied physics 107.8(2010):art. no. 083704. |
入库方式： OAI收割
来源：半导体研究所
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