First-principles investigation of the concentration-dependent phase transition of Ce(x)Th(1-x) alloys
文献类型：期刊论文
| 作者 | C. E. Hu ; Z. Y. Zeng ; L. Zhang ; X. R. Chen ; L. C. Cai |
| 刊名 | Solid State Communications
 |
| 出版日期 | 2010 |
| 卷号 | 150期号:47-48页码:2362-2365 |
| 关键词 | Alloy Phase transition Density functional theory alpha-gamma-transition kondo volume-collapse cerium metal crystal-structures high-pressure ce thorium diagram gpa th |
| ISSN号 | 0038-1098 |
| 中文摘要 | We report a first-principles study of the structure and phase transition of Ce(x)Th(1-x) (x = 0.0, 0.2, 0.43, 0.5, 0.6, 0.76 and 1.00) alloys. The structural properties of Ce(x)Th(1-x) under pressure are well predicted. The fcc-bct (face-centered cubic to body-centered tetragonal) transition pressure decreases with the increasing Ce concentration in Ce(x)Th(1-x). The transition pressure as a function of the Ce concentration of the Ce(x)Th(1-x) alloys can be well described as a second-order polynomial: P = 70.00 - 32.08x - 22.93x(2). (C) 2010 Elsevier Ltd. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/31154]  |
| 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 | C. E. Hu,Z. Y. Zeng,L. Zhang,et al. First-principles investigation of the concentration-dependent phase transition of Ce(x)Th(1-x) alloys[J]. Solid State Communications,2010,150(47-48):2362-2365. |
| APA | C. E. Hu,Z. Y. Zeng,L. Zhang,X. R. Chen,&L. C. Cai.(2010).First-principles investigation of the concentration-dependent phase transition of Ce(x)Th(1-x) alloys.Solid State Communications,150(47-48),2362-2365. |
| MLA | C. E. Hu,et al."First-principles investigation of the concentration-dependent phase transition of Ce(x)Th(1-x) alloys".Solid State Communications 150.47-48(2010):2362-2365. |
入库方式： OAI收割
来源：金属研究所
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