Optical properties of UO2 and PuO2

doi:10.1016/j.jnucmat.2010.02.024

CORC > 北京大学 > 工学院

	Optical properties of UO2 and PuO2
	Shi, Hongliang ; Chu, Mingfu ; Zhang, Ping
刊名	journal of nuclear materials
	2010
关键词	ELECTRONIC-STRUCTURE URANIUM-DIOXIDE POINT-DEFECTS PHOTOEMISSION ENERGY APPROXIMATION ENERGETICS PLUTONIUM CRYSTAL SPECTRA
DOI	10.1016/j.jnucmat.2010.02.024
英文摘要	We perform first-principles calculations of electronic structure and optical properties for UO2 and PuO2 based on the density functional theory using the generalized gradient approximation (GGA) + U scheme. The main features in orbital-resolved partial density of states for occupied f and p orbitals, unoccupied d orbitals, and related gaps are well reproduced compared to experimental observations. Based on the satisfactory ground-state electronic structure calculations, the dynamical dielectric function and related optical spectra, i.e., the reflectivity, adsorption coefficient, energy-loss, and refractive index spectrum, are obtained. These results are consistent with the available experiments. (C) 2010 Elsevier B.V. All rights reserved.; Materials Science, Multidisciplinary; Nuclear Science & Technology; Mining & Mineral Processing; SCI(E); 27; ARTICLE; 2; 151-156; 400
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/244427]
专题	工学院
推荐引用方式 GB/T 7714	Shi, Hongliang,Chu, Mingfu,Zhang, Ping. Optical properties of UO2 and PuO2[J]. journal of nuclear materials,2010.
APA	Shi, Hongliang,Chu, Mingfu,&Zhang, Ping.(2010).Optical properties of UO2 and PuO2.journal of nuclear materials.
MLA	Shi, Hongliang,et al."Optical properties of UO2 and PuO2".journal of nuclear materials (2010).