Optical properties of UO2 and PuO2
文献类型：期刊论文
| ; | |
| 作者 | Shi HL (Shi Hongliang); Chu MF (Chu Mingfu); Zhang P (Zhang Ping); Zhang, P, Inst Appl Phys & Computat Math, LCP, POB 8009, Beijing 100088, Peoples R China. zhang_ping@iapcm.ac.cn |
| 刊名 | journal of nuclear materials
 ; JOURNAL OF NUCLEAR MATERIALS
|
| 出版日期 | 2010 ; 2010 |
| 卷号 | 400期号:2页码:151-156 |
| 关键词 | ELECTRONIC-STRUCTURE Electronic-structure Uranium-dioxide Point-defects Photoemission Energy Approximation Energetics Plutonium Crystal Spectra URANIUM-DIOXIDE POINT-DEFECTS PHOTOEMISSION ENERGY APPROXIMATION ENERGETICS PLUTONIUM CRYSTAL SPECTRA |
| 通讯作者 | zhang, p, inst appl phys & computat math, lcp, pob 8009, beijing 100088, peoples r china. zhang_ping@iapcm.ac.cn |
| 合作状况 | 国内 |
| 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.; 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.; submitted by 阎军 (yanj@red.semi.ac.cn) on 2010-06-18t14:38:06z no. of bitstreams: 1 optical properties of uo2 and puo2.pdf: 436020 bytes, checksum: 2550557de6d9a76399130a068859712b (md5); approved for entry into archive by 阎军(yanj@red.semi.ac.cn) on 2010-06-18t14:46:41z (gmt) no. of bitstreams: 1 optical properties of uo2 and puo2.pdf: 436020 bytes, checksum: 2550557de6d9a76399130a068859712b (md5); made available in dspace on 2010-06-18t14:46:41z (gmt). no. of bitstreams: 1 optical properties of uo2 and puo2.pdf: 436020 bytes, checksum: 2550557de6d9a76399130a068859712b (md5) previous issue date: 2010; this work was supported by the foundations for development of science and technology of china academy of engineering physics under grant no. 2009b0301037.; 国内 |
| 学科主题 | 半导体物理 ; 半导体物理 |
| 收录类别 | SCI |
| 资助信息 | this work was supported by the foundations for development of science and technology of china academy of engineering physics under grant no. 2009b0301037. |
| 语种 | 英语 ; 英语 |
| 资助机构 | This work was supported by the Foundations for Development of Science and Technology of China Academy of Engineering Physics under Grant No. 2009B0301037. |
| 公开日期 | 2010-06-18 ; 2010-06-18 ; 2010-10-15 |
| 源URL | [http://ir.semi.ac.cn/handle/172111/11334]  |
| 专题 | 半导体研究所_半导体超晶格国家重点实验室 |
| 通讯作者 | Zhang, P, Inst Appl Phys & Computat Math, LCP, POB 8009, Beijing 100088, Peoples R China. zhang_ping@iapcm.ac.cn |
| 推荐引用方式 GB/T 7714 | Shi HL ,Chu MF ,Zhang P ,et al. Optical properties of UO2 and PuO2, Optical properties of UO2 and PuO2[J]. journal of nuclear materials, JOURNAL OF NUCLEAR MATERIALS,2010, 2010,400, 400(2):151-156, 151-156. |
| APA | Shi HL ,Chu MF ,Zhang P ,&Zhang, P, Inst Appl Phys & Computat Math, LCP, POB 8009, Beijing 100088, Peoples R China. zhang_ping@iapcm.ac.cn.(2010).Optical properties of UO2 and PuO2.journal of nuclear materials,400(2),151-156. |
| MLA | Shi HL ,et al."Optical properties of UO2 and PuO2".journal of nuclear materials 400.2(2010):151-156. |
入库方式： OAI收割
来源：半导体研究所
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