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Donor-donor binding in In2O3: Engineering shallow donor levels
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
2010
Source PublicationJOURNAL OF APPLIED PHYSICS
Volume107Issue:8Pages:Art. No. 083704
AbstractUsing 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.
metadata_24国内
KeywordAugmented-wave Method Electronic-structure Semiconductors Films Znse Znte
Subject Area半导体物理
Funding OrganizationNational Natural Science Foundation of China 60871065 90606001 China Postdoctoral Science Foundation
Indexed BySCI
Language英语
Date Available2010-05-24
Document Type期刊论文
Identifierhttp://ir.semi.ac.cn/handle/172111/11233
Collection半导体超晶格国家重点实验室
Corresponding AuthorTang, 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
Recommended Citation
GB/T 7714
Tang LM ,Wang LL ,Wang D ,et al. Donor-donor binding in In2O3: Engineering shallow donor levels[J]. JOURNAL OF APPLIED PHYSICS,2010,107(8):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.
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