The first-principle calculation of electronic structure and optical properties of In2O3

CORC > 西安光学精密机械研究所 > 中国科学院西安光学精密机械研究所 > 研究生部

	The first-principle calculation of electronic structure and optical properties of In2O3
	Zhang Fu-Chun 1,2; Zhang Zhi-Yong 1,3; Zhang Wei-Hu 1,2; Yan Jun-Feng 3; Yun Jiang-Ni 3
刊名	acta chimica sinica
	2008-08-28
卷号	66 期号:16 页码:1863-1868
关键词	In2O3 optical property electronic structure the first-principle
ISSN号	1863-1868
英文摘要	the electronic structures and the optical response functions of in2o3 were calculated by using a first-principle ultra-soft pseudo-potential approach of the plane wave based upon density functional theory, and the relationships between the electronic structures and optical properties were investigated. the dielectric functions, reflectance spectra, energy-loss function im dominated by electron inter-band transitions were analyzed in terms of the precisely calculated band structure and density of state. the properties of chemistry and physics were studied by the difference charge density. the calculated results indicate that the optical transmittance of in2o3 is higher than 85% in the visible region, and transparent conductive oxide thin films can be prepared. furthermore, the calculated conclusions offer theoretical data for the design and application of optoelectronics materials of in2o3, and also enable more precise monitoring and controlling during the growth of in2o3 materials to be possible.
学科主题	数理科学和化学
WOS标题词	science & technology ; physical sciences
类目[WOS]	chemistry, multidisciplinary
研究领域[WOS]	chemistry
关键词[WOS]	tin-oxide-films ; indium ; spectroscopy ; deposition
收录类别	SCI
语种	中文
WOS记录号	WOS:000259244800003
公开日期	2011-10-08
内容类型	期刊论文
源URL	[http://ir.opt.ac.cn/handle/181661/11649]
专题	西安光学精密机械研究所_研究生部
作者单位	1.Chinese Acad Sci, Xian Inst Opt & Precis Mech, Xian 710068, Peoples R China 2.Yanan Univ, Coll Phys & Elect Informat, Yanan 716000, Peoples R China 3.NW Univ Xian, Informat Sci & Technol Inst, Xian 710127, Peoples R China
推荐引用方式 GB/T 7714	Zhang Fu-Chun,Zhang Zhi-Yong,Zhang Wei-Hu,et al. The first-principle calculation of electronic structure and optical properties of In2O3[J]. acta chimica sinica,2008,66(16):1863-1868.
APA	Zhang Fu-Chun,Zhang Zhi-Yong,Zhang Wei-Hu,Yan Jun-Feng,&Yun Jiang-Ni.(2008).The first-principle calculation of electronic structure and optical properties of In2O3.acta chimica sinica,66(16),1863-1868.
MLA	Zhang Fu-Chun,et al."The first-principle calculation of electronic structure and optical properties of In2O3".acta chimica sinica 66.16(2008):1863-1868.