Density-functional theory investigation of energy gaps and optical properties of Hg1-xCdxTe and In1-xGaxAs

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	Density-functional theory investigation of energy gaps and optical properties of Hg1-xCdxTe and In1-xGaxAs
	Guo, SD ; Liu, BG
刊名	CHINESE PHYSICS B
	2012
卷号	21 期号:1
关键词	HGTE QUANTUM-WELLS ELECTRON-GAS TRANSITION
ISSN号	1674-1056
通讯作者	Guo, SD: Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Inst Phys, Beijing 100190, Peoples R China.
中文摘要	We use a modified Becke-Johnson exchange plus a local density approximation correlation potential within the density functional theory to investigate the electronic structures of Hg1-xCdxTe and In1-xGaxAs with x being 0, 0.25, 0.5, 0.75, and 1. For both of the two series, our calculated energy gaps and dielectric functions (real part epsilon(1) and imaginary part epsilon(2)) are in agreement with the corresponding experimental results with x being between 0 and 1. The calculated zero-frequency refractive index varies greatly with x for Hg1-xCdxTe, but changes little with x for In1-xGaxAs, which is consistent with the real parts of their dielectric functions. Therefore, this new approach is satisfactory to describe the electronic structures and the optical properties of the semiconductors.
收录类别	SCI
资助信息	National Natural Science Foundation of China [11174359, 10874232, 10774180]; National Basic Research Program of China [2012CB932302]
语种	英语
公开日期	2013-09-17
内容类型	期刊论文
源URL	[http://ir.iphy.ac.cn/handle/311004/35726]
专题	物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文
推荐引用方式 GB/T 7714	Guo, SD,Liu, BG. Density-functional theory investigation of energy gaps and optical properties of Hg1-xCdxTe and In1-xGaxAs[J]. CHINESE PHYSICS B,2012,21(1).
APA	Guo, SD,&Liu, BG.(2012).Density-functional theory investigation of energy gaps and optical properties of Hg1-xCdxTe and In1-xGaxAs.CHINESE PHYSICS B,21(1).
MLA	Guo, SD,et al."Density-functional theory investigation of energy gaps and optical properties of Hg1-xCdxTe and In1-xGaxAs".CHINESE PHYSICS B 21.1(2012).