First-principle calculation on the structural stability of CeAg
文献类型：期刊论文
| 作者 | Y. S. Zhang ; K. L. Yao ; Z. L. Liu |
| 刊名 | Solid State Communications
 |
| 出版日期 | 2005 |
| 卷号 | 134期号:5页码:343-348 |
| 关键词 | CeAg atomic shifts E. FP_LAPW generalized gradient approximation transformation laagxin1-x |
| ISSN号 | 0038-1098 |
| 中文摘要 | The structural stability of CeAg has been studied by self-consistent full-potential linearized augmented plane wave method (FP_LAPW) based on the density functional theory (I)FT). The result shows that the low-temperature phase of CeAg is not a simple tetragonal structure. The degenerate d states at the Fermi level are split because of atomic shifts, which result in the cubic-to-tetragonal transition. (c) 2005 Elsevier Ltd. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/35243]  |
| 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 structural stability of CeAg[J]. Solid State Communications,2005,134(5):343-348. |
| APA | Y. S. Zhang,K. L. Yao,&Z. L. Liu.(2005).First-principle calculation on the structural stability of CeAg.Solid State Communications,134(5),343-348. |
| MLA | Y. S. Zhang,et al."First-principle calculation on the structural stability of CeAg".Solid State Communications 134.5(2005):343-348. |
入库方式： OAI收割
来源：金属研究所
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