Nonradiative Dynamics Induced by Vacancies in Wide-Gap III-Nitrides: Ab Initio Time-Domain Analysis

doi:10.1021/acs.jpclett.3c01515

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	Nonradiative Dynamics Induced by Vacancies in Wide-Gap III-Nitrides: Ab Initio Time-Domain Analysis
	Y. Yang, Z. Shi, S. Zhang, X. Ma, J. Bai, D. Fan, H. Zang, X. Sun and D. Li
	2023
发表期刊	Journal of Physical Chemistry Letters
ISSN	19487185
卷号	14 期号:29 页码:6719-6725
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.
DOI	10.1021/acs.jpclett.3c01515
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收录类别	sci ; ei
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文献类型	期刊论文
条目标识符	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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