Electronic and Optical Properties of Rock-Salt AlN under High Pressure via First-Principles Analysis

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	Electronic and Optical Properties of Rock-Salt AlN under High Pressure via First-Principles Analysis
	W. Zhang; X. R. Chen; L. C. Cai; Q. Q. Gou
	2008
发表期刊	Communications in Theoretical Physics
ISSN	0253-6102
卷号	50 期号:4 页码:990-994
摘要	Electronic and optical properties of rock-salt AlN under high pressure are investigated by first -principles method based on the plane-wave basis set. Analysis of band structures suggests that the rock-salt AlN has an indirect gap of 4.53 eV, which is in good agreement with other results. By investigating the effects of pressure on the energy gap, the different movement of conduction band at X point below and above 22.5 GPa is predicted. The optical properties including dielectric function, absorption, reflectivity, and refractive index are also calculated and analyzed. It is found that the rock-salt AlN is transparent from the partially ultra-violet to the visible light area and hardly does the transparence affected by the pressure. Furthermore, the curve of optical spectrum will shift to high energy area (blue shift) with increasing pressure.
部门归属	[zhang wei; chen xiang-rong; gou qing-quan] sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. [chen xiang-rong] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. [cai ling-cang] chinese acad engn, inst fluid phys, lab shock wave & detonat phys res, mianyang 621900, peoples r china.;chen, xr (reprint author), sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china;xrchen@126.com
关键词	Semiconductors Electronic Band Structure Optical Properties Density Functional Theory Aluminum Nitride Wurtzite Zincblende Gan Films Inn
URL	查看原文
WOS记录号	WOS:000260450600041
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.imr.ac.cn/handle/321006/33338
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	W. Zhang,X. R. Chen,L. C. Cai,et al. Electronic and Optical Properties of Rock-Salt AlN under High Pressure via First-Principles Analysis[J]. Communications in Theoretical Physics,2008,50(4):990-994.
APA	W. Zhang,X. R. Chen,L. C. Cai,&Q. Q. Gou.(2008).Electronic and Optical Properties of Rock-Salt AlN under High Pressure via First-Principles Analysis.Communications in Theoretical Physics,50(4),990-994.
MLA	W. Zhang,et al."Electronic and Optical Properties of Rock-Salt AlN under High Pressure via First-Principles Analysis".Communications in Theoretical Physics 50.4(2008):990-994.