Theoretical study of p-d hybridization in Co perovskite
文献类型：期刊论文
| 作者 | Zheng, Long1,2,3; Sun, Aimin1,2,3; Ma, Jinyuan1,2,3; Wei, Guidan1,2,3 |
| 刊名 | PHYSICA B-CONDENSED MATTER
 |
| 出版日期 | 2009 |
| 卷号 | 404期号:16页码:2345-2348 |
| 关键词 | Recursion Methods Hartree-fock Approximation Density Of State P-d Hybridization Double-exchange Effect |
| ISSN号 | 0921-4526 |
| DOI | 10.1016/j.physb.2009.04.043 |
| 英文摘要 | The real-space recursion method and unrestricted Hartree-Fock approximation have been applied to calculate the density of states of various Co perovskite, CeCoO(3), SrCoO(3) and Sr(1-x)Ce(x)CoO(3). We have studied the magnetically ordered states of these Co perovskites in an enlarged double cell, and find its various magnetic structures due to the occupancy of 3d band and its interaction with neighboring Co ions. In this study, we have studied the p-d hybridization of the three Co perovskites, we find t(2g) electrons are localized and the flat e(g) band is responsible for the itinerant behavior, and although the rare earth elements itself contribute little to the DOS at the Fermi energy, the DOS at Fermi energy and the magnetic moment changed consequently because of different valence of Co ions in these compounds and p-d hybridization effect is very important. (C) 2009 Elsevier B.V. All rights reserved. |
| WOS关键词 | TRANSITION-METAL OXIDES ; DENSITY ; LACOO3 ; STATES |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000268732700048 |
| 出版者 | ELSEVIER SCIENCE BV |
| 公开日期 | 2010-10-29 |
| 源URL | [http://ir.imp.cas.cn/handle/113462/5335]  |
| 专题 | 近代物理研究所_近代物理研究所知识存储（2010之前） |
| 通讯作者 | Sun, Aimin |
| 作者单位 | 1.NW Normal Univ, Coll Phys & Elect Engn, Lanzhou 730070, Peoples R China 2.NWNU, Joint Lab Atom & Mol Phys, Lanzhou 730070, Peoples R China 3.IMP CAS, Lanzhou 730070, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zheng, Long,Sun, Aimin,Ma, Jinyuan,et al. Theoretical study of p-d hybridization in Co perovskite[J]. PHYSICA B-CONDENSED MATTER,2009,404(16):2345-2348. |
| APA | Zheng, Long,Sun, Aimin,Ma, Jinyuan,&Wei, Guidan.(2009).Theoretical study of p-d hybridization in Co perovskite.PHYSICA B-CONDENSED MATTER,404(16),2345-2348. |
| MLA | Zheng, Long,et al."Theoretical study of p-d hybridization in Co perovskite".PHYSICA B-CONDENSED MATTER 404.16(2009):2345-2348. |
入库方式： OAI收割
来源：近代物理研究所
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