Regulating the valence level arrangement of high-Al-content AlGaN quantum wells using additional potentials with Mg doping

doi:10.1039/d1cp04303j

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	Regulating the valence level arrangement of high-Al-content AlGaN quantum wells using additional potentials with Mg doping
	S. Q. Lu; T. C. Zheng; K. Jiang; X. J. Sun; D. B. Li; H. Y. Chen; J. C. Li; Y. H. Zhou; D. J. Cai; S. P. Li; W. Lin and J. Y. Kang
	2022
Source Publication	Physical Chemistry Chemical Physics
ISSN	1463-9076
Volume	24 Issue:9 Pages:5529-5538
Abstract	Quantum states and arrangement of valence levels determine most of the electronic and optical properties of semiconductors. Since the crystal field split-off hole (CH) band is the top valence band in high-Al-content AlGaN, TM-polarized optical anisotropy has become the limiting factor for efficient deep-ultraviolet (DUV) light emission. Additional potentials, including on-site Coulomb interaction and orbital state coupling induced by magnesium (Mg) doping, are proposed in this work to regulate the valence level arrangement of AlN/Al0.75Ga0.25N quantum wells (QWs). Diverse responses of valence quantum states vertical bar p(i)> (i = x, y, or z) of AlGaN to additional potentials due to different configurations and interactions of orbitals revealed by first-principles simulations are understood in terms of the linear combination of atomic orbital states. A positive charge and large Mg dopant in QWs introduce an additional Coulomb potential and modulate the orbital coupling distance. For the CH band (p(z) orbital), the Mg-induced Coulomb potential compensates the orbital coupling energy. Meanwhile, the heavy/light hole (HH/LH) bands (p(x) and p(y) orbitals) are elevated by the Mg-induced Coulomb potential. Consequently, HH/LH energy levels are relatively shifted upward and replace the CH level to be the top of the valence band. The inversion of optical anisotropy and enhancement of TE-polarized emission are further confirmed experimentally via spectroscopic ellipsometry.
DOI	10.1039/d1cp04303j
URL	查看原文
Indexed By	sci ; ei
Language	英语
Citation statistics
Document Type	期刊论文
Identifier	http://ir.ciomp.ac.cn/handle/181722/67030
Collection	中国科学院长春光学精密机械与物理研究所
Recommended Citation GB/T 7714	S. Q. Lu,T. C. Zheng,K. Jiang,et al. Regulating the valence level arrangement of high-Al-content AlGaN quantum wells using additional potentials with Mg doping[J]. Physical Chemistry Chemical Physics,2022,24(9):5529-5538.
APA	S. Q. Lu.,T. C. Zheng.,K. Jiang.,X. J. Sun.,D. B. Li.,...&W. Lin and J. Y. Kang.(2022).Regulating the valence level arrangement of high-Al-content AlGaN quantum wells using additional potentials with Mg doping.Physical Chemistry Chemical Physics,24(9),5529-5538.
MLA	S. Q. Lu,et al."Regulating the valence level arrangement of high-Al-content AlGaN quantum wells using additional potentials with Mg doping".Physical Chemistry Chemical Physics 24.9(2022):5529-5538.

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