First-principles study on the conducting mechanism of the heavy-fermion system CaCu3Ru4O12
文献类型：期刊论文
| 作者 | Xiang HP ; Liu XJ ; Zhao E ; Meng J ; Wu ZJ |
| 刊名 | physical review b
 |
| 出版日期 | 2007 |
| 卷号 | 76期号:15页码:文献编号：155103 |
| 关键词 | HIGH-DIELECTRIC-CONSTANT STATE OXIDE |
| ISSN号 | 1098-0121 |
| 通讯作者 | wu zj |
| 中文摘要 | we investigated the electronic structure of the d-electron heavy-fermion system cacu3ru4o12 by use of the full-potential linearized augmented plane wave method. our results indicate that the compound is a paramagnetic metal, in agreement with the experimental observation. the conductivity of the compound is governed by two main factors. one is the ru-o dp pi coupling around the fermi energy level, which makes ru-o-ru networks conductive. the other is the hybridization between the itinerant ru 4d electrons and the localized cu 3d (dz(2) and part of dx(2)-y(2) and dxy) electrons through o 2p orbitals in the energy region from -2.0 to -1.0 ev. the ru-o-cu interaction makes the localized cu electrons start to be itinerant through the coupling with ru 4d electrons. this results in ru-o-cu networks being conductive. therefore, in the title compound, both ru-o-ru and ru-o-cu networks contribute to the conducting behavior. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2010-07-13 ; 2011-06-09 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/13325]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Xiang HP,Liu XJ,Zhao E,et al. First-principles study on the conducting mechanism of the heavy-fermion system CaCu3Ru4O12[J]. physical review b,2007,76(15):文献编号：155103. |
| APA | Xiang HP,Liu XJ,Zhao E,Meng J,&Wu ZJ.(2007).First-principles study on the conducting mechanism of the heavy-fermion system CaCu3Ru4O12.physical review b,76(15),文献编号：155103. |
| MLA | Xiang HP,et al."First-principles study on the conducting mechanism of the heavy-fermion system CaCu3Ru4O12".physical review b 76.15(2007):文献编号：155103. |
入库方式： OAI收割
来源：长春应用化学研究所
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