Study on band structure of YbB6 and analysis of its optical conductivity spectrum
文献类型：期刊论文
| 作者 | Jun, Jiang; Jiang, Bian; Li Lemin |
| 刊名 | JOURNAL OF RARE EARTHS
 |
| 出版日期 | 2007-12-01 |
| 卷号 | 25期号:6页码:654-664 |
| 关键词 | Ybb6 Band Structure Optical Conductivity Energy-loss Function Spectrum Assignment Rare Earths |
| ISSN号 | 1002-0721 |
| 英文摘要 | The electronic structure of YbB6 crystal was studied by means of density functional (GGA + U) method. The calculations were performed by FLAPW method. The high accurate band structure was achieved. The correlation between the feature of the band structure and the Yb-B6 bonding in YbB6 was analyzed. On this basis, some optical constants of YbB6 Such as reflectivity, dielectric function, optical conductivity, and energy-loss function were calculated. The results are in good agreement with the experiments. The real part of the optical conductivity spectrum and the energy-loss function spectrum were analyzed in detail. The assignments of the spectra were carried out to correlate the spectral peaks with the interband electronic transitions, which justify the reasonable part of previous empirical assignments and renew the missed or incorrect ones. |
| 语种 | 英语 |
| WOS记录号 | WOS:000252410000002 |
| 出版者 | METALLURGICAL INDUSTRY PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/60335]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Li Lemin |
| 作者单位 | Peking Univ, Coll Chem & Mol Engn, State Key Lab Rare Earth Mat Chem & Applicat, Beijing Natl Lab Mol Sci, Beijing 100871, Peoples R China |
| 推荐引用方式 GB/T 7714 | Jun, Jiang,Jiang, Bian,Li Lemin. Study on band structure of YbB6 and analysis of its optical conductivity spectrum[J]. JOURNAL OF RARE EARTHS,2007,25(6):654-664. |
| APA | Jun, Jiang,Jiang, Bian,&Li Lemin.(2007).Study on band structure of YbB6 and analysis of its optical conductivity spectrum.JOURNAL OF RARE EARTHS,25(6),654-664. |
| MLA | Jun, Jiang,et al."Study on band structure of YbB6 and analysis of its optical conductivity spectrum".JOURNAL OF RARE EARTHS 25.6(2007):654-664. |
入库方式： OAI收割
来源：化学研究所
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