Influence of water concentration on the electronic band structure of the hydrated Na0.3CoO2 center dot yH(2)O superconductor using a local spin density approximation
文献类型：期刊论文
| 作者 | Xiao, RJ ; Yang, HX ; Li, JQ |
| 刊名 | PHYSICAL REVIEW B
 |
| 出版日期 | 2006 |
| 卷号 | 73期号:9 |
| 关键词 | THERMOELECTRIC PROPERTIES SINGLE-CRYSTALS FERMI-SURFACE NAXCOO2-CENTER-DOT-YH(2)O 1ST-PRINCIPLES NAXCOO2 NACO2O4 MODEL |
| ISSN号 | 1098-0121 |
| 通讯作者 | Li, JQ: Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100080, Peoples R China. |
| 中文摘要 | The electronic band structures of the parent compound Na0.3CoO2 and the hydrated superconductor Na0.3CoO2 center dot 1.3H(2)O were evaluated using the local spin density approximation. Systematic analysis on the bands near the Fermi surface revealed that the hydration-induced modifications appear, notably in the valence charge density and the orbital hybridization. The most striking changes are the decrease of density in Cobalt's a(1g) state and the rehybridization between O 2p and Co a(1g) in the hydrated superconducting phase. These hydration-induced modifications could yield visible differences in interband excitations and dielectric functions. Experimental results of electron energy-loss spectroscopy are fundamentally in agreement with the theoretical predictions for the hydrated Na0.3CoO2 center dot yH(2)O. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2013-09-18 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/39925]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Xiao, RJ,Yang, HX,Li, JQ. Influence of water concentration on the electronic band structure of the hydrated Na0.3CoO2 center dot yH(2)O superconductor using a local spin density approximation[J]. PHYSICAL REVIEW B,2006,73(9). |
| APA | Xiao, RJ,Yang, HX,&Li, JQ.(2006).Influence of water concentration on the electronic band structure of the hydrated Na0.3CoO2 center dot yH(2)O superconductor using a local spin density approximation.PHYSICAL REVIEW B,73(9). |
| MLA | Xiao, RJ,et al."Influence of water concentration on the electronic band structure of the hydrated Na0.3CoO2 center dot yH(2)O superconductor using a local spin density approximation".PHYSICAL REVIEW B 73.9(2006). |
入库方式： OAI收割
来源：物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。