Optical properties of uo2 and puo2
文献类型：期刊论文
| 作者 | Shi, Hongliang1,2; Chu, Mingfu3; Zhang, Ping1,4 |
| 刊名 | Journal of nuclear materials
 |
| 出版日期 | 2010-05-15 |
| 卷号 | 400期号:2页码:151-156 |
| ISSN号 | 0022-3115 |
| DOI | 10.1016/j.jnucmat.2010.02.024 |
| 通讯作者 | Zhang, ping(zhang_ping@iapcm.ac.cn) |
| 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. |
| WOS关键词 | ELECTRONIC-STRUCTURE ; URANIUM-DIOXIDE ; POINT-DEFECTS ; PHOTOEMISSION ; ENERGY ; APPROXIMATION ; ENERGETICS ; PLUTONIUM ; CRYSTAL ; SPECTRA |
| WOS研究方向 | Materials Science ; Nuclear Science & Technology ; Mining & Mineral Processing |
| WOS类目 | Materials Science, Multidisciplinary ; Nuclear Science & Technology ; Mining & Mineral Processing |
| 语种 | 英语 |
| WOS记录号 | WOS:000278392900007 |
| 出版者 | ELSEVIER SCIENCE BV |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2427840 |
| 专题 | 半导体研究所 |
| 通讯作者 | Zhang, Ping |
| 作者单位 | 1.Inst Appl Phys & Computat Math, LCP, Beijing 100088, Peoples R China 2.Chinese Acad Sci, Inst Semicond, SKLSM, Beijing 100083, Peoples R China 3.State Key Lab Surface Phys & Chem, Mianyang 621907, Peoples R China 4.Peking Univ, Ctr Appl Phys & Technol, Beijing 100871, Peoples R China |
| 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,2010,400(2):151-156. |
| APA | Shi, Hongliang,Chu, Mingfu,&Zhang, Ping.(2010).Optical properties of uo2 and puo2.Journal of nuclear materials,400(2),151-156. |
| MLA | Shi, Hongliang,et al."Optical properties of uo2 and puo2".Journal of nuclear materials 400.2(2010):151-156. |
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来源：半导体研究所
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