First principle calculation on the electronic structure of CeRu2Ge2
文献类型：期刊论文
| 作者 | Y. S. Zhang ; K. L. Yao ; Z. L. Liu |
| 刊名 | Journal of Magnetism and Magnetic Materials
 |
| 出版日期 | 2005 |
| 卷号 | 295期号:3页码:269-276 |
| 关键词 | CeRu2Ge2 FP_LAPW on-site Coulomb potential spin polarization ceru2si2 ferromagnetism silicides behavior |
| ISSN号 | 0304-8853 |
| 中文摘要 | The electronic structure of CeRu2Ge2 has been calculated using the self-consistent full-potential linearized augmented plane wave method (FP_LAPW) based on the density functional theory (DFT). The effect of the position exchanging between Ru and Ge atoms is studied. It shows that the magnetic moment of Ce ion is sensitive to the position exchanging between them. The result also reveals that the spin-orbit interaction and on-site Coulomb potential should be added on the Ce-derived 4f orbitals to obtain the correctly ground-state magnetic moment of CeRu2Ge2. The electronic structures of CeRu2Ge2 and its isostructural compound CeRu2Si2 have also been compared. (C) 2005 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/35242]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | Y. S. Zhang,K. L. Yao,Z. L. Liu. First principle calculation on the electronic structure of CeRu2Ge2[J]. Journal of Magnetism and Magnetic Materials,2005,295(3):269-276. |
| APA | Y. S. Zhang,K. L. Yao,&Z. L. Liu.(2005).First principle calculation on the electronic structure of CeRu2Ge2.Journal of Magnetism and Magnetic Materials,295(3),269-276. |
| MLA | Y. S. Zhang,et al."First principle calculation on the electronic structure of CeRu2Ge2".Journal of Magnetism and Magnetic Materials 295.3(2005):269-276. |
入库方式： OAI收割
来源：金属研究所
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