First-principles investigation of the concentration-dependent phase transition of Ce(x)Th(1-x) alloys

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	First-principles investigation of the concentration-dependent phase transition of Ce(x)Th(1-x) alloys
	C. E. Hu; Z. Y. Zeng; L. Zhang; X. R. Chen; L. C. Cai
	2010
发表期刊	Solid State Communications
ISSN	0038-1098
卷号	150 期号:47-48 页码:2362-2365
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.
部门归属	[hu, cui-e; zeng, zhao-yi; zhang, lin; cai, ling-cang] china acad engn phys, inst fluid phys, natl key lab shock wave & detonat phys res, mianyang 621900, peoples r china. [hu, cui-e; zeng, zhao-yi; chen, xiang-rong] sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. [chen, xiang-rong] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;hu, ce (reprint author), china acad engn phys, inst fluid phys, natl key lab shock wave & detonat phys res, mianyang 621900, peoples r china;cuiehu@126.com zhanglinbox@263.net
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
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31154
专题	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.