Nonradiative Dynamics Induced by Vacancies in Wide-Gap III-Nitrides: Ab Initio Time-Domain Analysis
文献类型：期刊论文
| 作者 | Y. Yang, Z. Shi, S. Zhang, X. Ma, J. Bai, D. Fan, H. Zang, X. Sun and D. Li |
| 刊名 | Journal of Physical Chemistry Letters
 |
| 出版日期 | 2023 |
| 卷号 | 14期号:29页码:6719-6725 |
| ISSN号 | 19487185 |
| DOI | 10.1021/acs.jpclett.3c01515 |
| 英文摘要 | Insightful understanding of defect properties and prevention of defect damage are among the biggest issues in the development of photoelectronic devices based on wide-gap III-nitride semiconductors. Here, we have investigated the vacancy-induced carrier nonradiative dynamics in wide-gap III-nitrides (GaN, AlN, and AlxGa1-xN) by ab initio molecular dynamics and nonadiabatic (NA) quantum dynamics simulations since the considerable defect density in epitaxy samples. E-h recombination is hardly affected by Vcation, which created shallow states near the VBM. Our findings demonstrate that VN in AlN creates defect-assisted nonradiative recombination centers and shortens the recombination time (τ) as in the Shockley-Read-Hall (SRH) model. In GaN, VN improves the NA coupling between the CBM and the VBM. Additionally, increasing x in the AlxGa1-xN alloys accelerates nonradiative recombination, which may be an important issue in further improving the IQE of high Al-content AlxGa1-xN alloys. These findings have significant implications for the improvement of wide-gap III-nitrides-based photoelectronic devices. © 2023 American Chemical Society. |
| URL标识 | 查看原文 |
| 源URL | [http://ir.ciomp.ac.cn/handle/181722/68092]  |
| 专题 | 中国科学院长春光学精密机械与物理研究所 |
| 推荐引用方式 GB/T 7714 | Y. Yang, Z. Shi, S. Zhang, X. Ma, J. Bai, D. Fan, H. Zang, X. Sun and D. Li. Nonradiative Dynamics Induced by Vacancies in Wide-Gap III-Nitrides: Ab Initio Time-Domain Analysis[J]. Journal of Physical Chemistry Letters,2023,14(29):6719-6725. |
| APA | Y. Yang, Z. Shi, S. Zhang, X. Ma, J. Bai, D. Fan, H. Zang, X. Sun and D. Li.(2023).Nonradiative Dynamics Induced by Vacancies in Wide-Gap III-Nitrides: Ab Initio Time-Domain Analysis.Journal of Physical Chemistry Letters,14(29),6719-6725. |
| MLA | Y. Yang, Z. Shi, S. Zhang, X. Ma, J. Bai, D. Fan, H. Zang, X. Sun and D. Li."Nonradiative Dynamics Induced by Vacancies in Wide-Gap III-Nitrides: Ab Initio Time-Domain Analysis".Journal of Physical Chemistry Letters 14.29(2023):6719-6725. |
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