First-principles study on the conducting mechanism of the heavy-fermion system cacu(3)ru(4)o(12)
文献类型：期刊论文
| 作者 | Xiang, Hongping1,2; Liu, Xiaojuan1; Zhao, Erjun1,2; Meng, Jian1; Wu, Zhijian1 |
| 刊名 | Physical review b
 |
| 出版日期 | 2007-10-01 |
| 卷号 | 76期号:15页码:6 |
| ISSN号 | 1098-0121 |
| DOI | 10.1103/physrevb.76.155103 |
| 通讯作者 | Wu, zhijian(zjwu@ciac.jl.cn) |
| 英文摘要 | We investigated the electronic structure of the d-electron heavy-fermion system cacu(3)ru(4)o(12) 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. |
| WOS关键词 | HIGH-DIELECTRIC-CONSTANT ; STATE ; OXIDE |
| WOS研究方向 | Physics |
| WOS类目 | Physics, Condensed Matter |
| 语种 | 英语 |
| WOS记录号 | WOS:000250620400035 |
| 出版者 | AMER PHYSICAL SOC |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2381351 |
| 专题 | 中国科学院大学 |
| 通讯作者 | Wu, Zhijian |
| 作者单位 | 1.Chinese Acad Sci, Changchun Inst Appl Chem, Key Lab Rare Earth Chem & Phys, Changchun 130022, Peoples R China 2.Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xiang, Hongping,Liu, Xiaojuan,Zhao, Erjun,et al. First-principles study on the conducting mechanism of the heavy-fermion system cacu(3)ru(4)o(12)[J]. Physical review b,2007,76(15):6. |
| APA | Xiang, Hongping,Liu, Xiaojuan,Zhao, Erjun,Meng, Jian,&Wu, Zhijian.(2007).First-principles study on the conducting mechanism of the heavy-fermion system cacu(3)ru(4)o(12).Physical review b,76(15),6. |
| MLA | Xiang, Hongping,et al."First-principles study on the conducting mechanism of the heavy-fermion system cacu(3)ru(4)o(12)".Physical review b 76.15(2007):6. |
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来源：中国科学院大学
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