ITP OpenIR  > SCI期刊论文
Sui, PF; Dai, ZH; Zhang, XL; Zhao, YC; Dai, ZH (reprint author), Yantai Univ, Inst Optoelect Informat Technol, Computat Phys Lab, Yantai 264005, Peoples R China.
Electronic Structure and Optical Properties in Uranium Dioxide: the First Principle Calculations
Source PublicationCHINESE PHYSICS LETTERS
Language英语
AbstractWe report a study of the electronic structure and optical properties of uranium dioxide (UO2) based on the ab-initio density-functional theory and using the generalized gradient approximation. To correctly describe the strong correlation between 5f electrons of a uranium atom, we employ the on-site Hubbard U correction term and optimize the correlation parameter of the bulk uranium dioxide. Then we give the structural and electronic properties of the ground state of uranium dioxide. Based on the accurate electronic structure, we calculate the complex dielectric function of UO2 and the related optical properties, such as reflectivity, refractive index, extinction index, energy loss spectra, and absorption coefficient.
2015
Volume32Issue:7Pages:77101
Subject AreaPhysics
DOIhttp://dx.doi.org/10.1088/0256-307X/32/7/077101
Indexed BySCI
Funding OrganizationNew Century Excellent Talents in University in Ministry of Education of China [NCET-09-0867] ; New Century Excellent Talents in University in Ministry of Education of China [NCET-09-0867] ; New Century Excellent Talents in University in Ministry of Education of China [NCET-09-0867] ; New Century Excellent Talents in University in Ministry of Education of China [NCET-09-0867]
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Document Type期刊论文
Identifierhttp://ir.itp.ac.cn/handle/311006/20943
CollectionSCI期刊论文
Corresponding AuthorDai, ZH (reprint author), Yantai Univ, Inst Optoelect Informat Technol, Computat Phys Lab, Yantai 264005, Peoples R China.
Recommended Citation
GB/T 7714
Sui, PF,Dai, ZH,Zhang, XL,et al. Electronic Structure and Optical Properties in Uranium Dioxide: the First Principle Calculations[J]. CHINESE PHYSICS LETTERS,2015,32(7):77101.
APA Sui, PF,Dai, ZH,Zhang, XL,Zhao, YC,&Dai, ZH .(2015).Electronic Structure and Optical Properties in Uranium Dioxide: the First Principle Calculations.CHINESE PHYSICS LETTERS,32(7),77101.
MLA Sui, PF,et al."Electronic Structure and Optical Properties in Uranium Dioxide: the First Principle Calculations".CHINESE PHYSICS LETTERS 32.7(2015):77101.
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