Parameter modulation on p-type doping of AlGaN nanowires

doi:10.1016/j.jmrt.2024.04.220

	Parameter modulation on p-type doping of AlGaN nanowires
	Wang, Yuyan 1; Xia, Sihao 1,2; Diao, Yu 3; Shi, Hongkai 1; Wu, Xian 1; Dai, Yuting 1; Kan, Caixia 1,2; Shi, Daning 1,2
	2024-06
发表期刊	JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
ISSN	2238-7854
卷号	30 页码:5512-5522
摘要	The p-type doping process during the growth of AlGaN nanowires directly influences the optoelectronic properties of the related devices. However, research on the p-type ionization mechanism in AlxGa1-xN nanowires remains limited. In this work, we utilize first principles calculations to investigate p-type doping in AlxGa1-xN nanowires under different structural variables (Al component, doping element, doping site, and doping concentration). Our results demonstrate that p-type doping in AlxGa1-xN nanowires is an endothermic process, and increased dopant concentration leads to a decrease in system stability. Moreover, we found that dopant atoms are easier to substitute for Ga atoms than Al atoms. Among the three doping elements (Zn, Be and Mg), Zn exhibits the most challenging doping difficulty, while Be shows the easiest doping process, with Mg falling in between. Crystal Orbital Hamilton Population (COHP) and bond population calculations reveal the mechanism for the variation in doping structure stability. Doping induces a rearrangement of energy level orbitals, resulting in changes in the band gap. Specifically, the valence band exhibits an overall upward trend crossing the Fermi level, showing the p-type conductive properties. Notably, a significant decrease in electron density near Mg and Be leads to the formation of p-type conductive properties. The changes in hole density and effective mass further confirm the formation of p-type conductivity after doping. Additionally, structures with lower Al composition exhibit higher doping ionization degrees. This study is expected to provide a theoretical basis for the growth, preparation, and application of optoelectronic devices based on p-type AlGaN nanowires.
关键词	Al x Ga 1-x N nanowires p -type doping Bandgap Effective mass Bond population
其他关键词	ELECTRONIC-STRUCTURE ; STANENE MONOLAYERS ; OPTICAL-PROPERTIES ; DFT ; AL ; 1ST-PRINCIPLES ; DISSOCIATION ; CONDUCTIVITY ; ADSORPTION
DOI	10.1016/j.jmrt.2024.04.220
收录类别	SCIE
语种	英语
WOS研究方向	Materials Science ; Metallurgy & Metallurgical Engineering
WOS类目	Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS记录号	WOS:001239540300001
出版者	ELSEVIER
原始文献类型	Article
EISSN	2214-0697
引用统计	被引频次：4[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.library.ouchn.edu.cn/handle/39V7QQFX/171063
专题	国家开放大学江苏分部
通讯作者	Xia, Sihao
作者单位	1.Nanjing Univ Aeronaut & Astronaut, Coll Phys, 29 Jiangjun Rd, Nanjing 211106, Peoples R China; 2.MIIT, Key Lab Aerosp Informat Mat & Phys NUAA, Nanjing 211106, Peoples R China; 3.Jiangsu Open Univ, Sch Informat Technol, Nanjing 210036, Peoples R China
推荐引用方式 GB/T 7714	Wang, Yuyan,Xia, Sihao,Diao, Yu,et al. Parameter modulation on p-type doping of AlGaN nanowires[J]. JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T,2024,30:5512-5522.
APA	Wang, Yuyan.,Xia, Sihao.,Diao, Yu.,Shi, Hongkai.,Wu, Xian.,...&Shi, Daning.(2024).Parameter modulation on p-type doping of AlGaN nanowires.JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T,30,5512-5522.
MLA	Wang, Yuyan,et al."Parameter modulation on p-type doping of AlGaN nanowires".JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T 30(2024):5512-5522.