Thickness and strain engineering of structural and electronic properties for 2D square-octagon AlN

doi:10.1080/19475411.2020.1801879

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	Thickness and strain engineering of structural and electronic properties for 2D square-octagon AlN
	W. T. Hou,Z. B. Qi,H. Zang,Y. Yan and Z. M. Shi
	2020
发表期刊	International Journal of Smart and Nano Materials
ISSN	1947-5411
卷号	11 期号:3 页码:288-297
摘要	Two-dimensional (2D) semiconductors exhibit great potential to minimize the size and drastically reduce the energy consumption of optoelectronic devices due to promising features induced by quantum confinement. It has achieved many successes in infrared and visible light optoelectronic devices. The study on ultra-wide band gap 2D semiconductors excepth-BN are still limited, however, the requirement is more and more urgent. Inspired by the progresses of III-nitride semiconductors in recent several decades, 2D AlN is highly expected to be a new member of ultra-wide band gap 2D semiconductors. In this work, we employed the first-principles calculations to investigate the structural and electronic properties of 2D AlN. We revealed that few-layer AlN acquires a square-octagon (so-AlN) configuration in the vertical direction when the number of atomic layersnis smaller than 16. With increasing the thickness from 2 ML to 8 ML, the band gap decreased due to the weakening of quantum confinement effect. We demonstrated the intrinsic indirect band gap can be tuned to be direct by applying different direction strains forso-AlN. Our results open new avenues for their application in nano-optoelectronics.
DOI	10.1080/19475411.2020.1801879
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收录类别	SCI ; EI
语种	英语
引用统计
文献类型	期刊论文
条目标识符	http://ir.ciomp.ac.cn/handle/181722/64960
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	W. T. Hou,Z. B. Qi,H. Zang,Y. Yan and Z. M. Shi. Thickness and strain engineering of structural and electronic properties for 2D square-octagon AlN[J]. International Journal of Smart and Nano Materials,2020,11(3):288-297.
APA	W. T. Hou,Z. B. Qi,H. Zang,Y. Yan and Z. M. Shi.(2020).Thickness and strain engineering of structural and electronic properties for 2D square-octagon AlN.International Journal of Smart and Nano Materials,11(3),288-297.
MLA	W. T. Hou,Z. B. Qi,H. Zang,Y. Yan and Z. M. Shi."Thickness and strain engineering of structural and electronic properties for 2D square-octagon AlN".International Journal of Smart and Nano Materials 11.3(2020):288-297.

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