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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 | |
发表期刊 | CHINESE PHYSICS LETTERS
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语种 | 英语 |
摘要 | We 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 | |
卷号 | 32期号:7页码:77101 |
学科领域 | Physics |
DOI | http://dx.doi.org/10.1088/0256-307X/32/7/077101 |
收录类别 | SCI |
项目资助者 | 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] ; New Century Excellent Talents in University in Ministry of Education of China [NCET-09-0867] |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | http://ir.itp.ac.cn/handle/311006/20943 |
专题 | 理论物理所科研产出_SCI论文 |
通讯作者 | Dai, ZH (reprint author), Yantai Univ, Inst Optoelect Informat Technol, Computat Phys Lab, Yantai 264005, Peoples R China. |
推荐引用方式 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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文件名称/大小 | 文献类型 | 版本类型 | 开放类型 | 使用许可 | ||
Electronic Structure(944KB) | 期刊论文 | 出版稿 | 开放获取 | CC BY-NC-SA | 请求全文 |
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