Orbital orderings and optical conductivity of SrRuO3 and CaRuO3: first-principles studies
文献类型：期刊论文
| 作者 | Wang, GT ; Zhang, MP ; Yang, ZX ; Fang, Z |
| 刊名 | JOURNAL OF PHYSICS-CONDENSED MATTER
 |
| 出版日期 | 2009 |
| 卷号 | 21期号:26 |
| 关键词 | TRANSITION-METAL OXIDES ELECTRONIC-STRUCTURE MAGNETIC-PROPERTIES TRANSPORT-PROPERTIES SPIN FLUCTUATIONS PSEUDOPOTENTIALS DISTORTION SPECTRA STRAIN LAMNO3 |
| ISSN号 | 0953-8984 |
| 通讯作者 | Wang, GT (reprint author), Henan Normal Univ, Dept Phys, Xinxiang 453007, Henan, Peoples R China. |
| 中文摘要 | The Jahn-Teller (JT) distortion induced orbital order and optical conductivity in SrRuO3 and CaRuO3 are investigated by first-principles calculations. The total energy and optical conductivity of all the spin ordering states of SrRuO3 and CaRuO3 are calculated in the LDA + U scheme with U-eff = 2.5 eV. The down-spin t(2g) of Ru show antiferromagnetic-like orbital order in the a-b plane. We observe a d-d transition peak at an energy of about 1.0 eV in the calculated optical conductivity and analyze the reason for it not being observed in previous experiments. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2013-09-24 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/50421]  |
| 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 | Wang, GT,Zhang, MP,Yang, ZX,et al. Orbital orderings and optical conductivity of SrRuO3 and CaRuO3: first-principles studies[J]. JOURNAL OF PHYSICS-CONDENSED MATTER,2009,21(26). |
| APA | Wang, GT,Zhang, MP,Yang, ZX,&Fang, Z.(2009).Orbital orderings and optical conductivity of SrRuO3 and CaRuO3: first-principles studies.JOURNAL OF PHYSICS-CONDENSED MATTER,21(26). |
| MLA | Wang, GT,et al."Orbital orderings and optical conductivity of SrRuO3 and CaRuO3: first-principles studies".JOURNAL OF PHYSICS-CONDENSED MATTER 21.26(2009). |
入库方式： OAI收割
来源：物理研究所
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