First-principles investigation of the concentration-dependent phase transition of CexTh1-x alloys

doi:10.1016/j.ssc.2010.09.043

IMR OpenIR

	First-principles investigation of the concentration-dependent phase transition of CexTh1-x alloys
	Hu, Cui-E 1,2; Zeng, Zhao-Yi 1,2; Zhang, Lin 1; Chen, Xiang-Rong 2,3; Cai, Ling-Cang 1
通讯作者	Hu, Cui-E(cuiehu@126.com)
	2010-12-01
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 CexTh1-x (x = 0.0, 0.2, 0.43, 0.5, 0.6, 0.76 and 1.00) alloys. The structural properties of CexTh1-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 CexTh1-x. The transition pressure as a function of the Ce concentration of the CexTh1-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.
关键词	Alloy Phase transition Density functional theory
资助者	National Key Laboratory Fund for Shock Wave and Detonation Physics Research ; National Natural Science Foundation of China ; Doctoral Program of Higher Education
DOI	10.1016/j.ssc.2010.09.043
收录类别	SCI
语种	英语
资助项目	National Key Laboratory Fund for Shock Wave and Detonation Physics Research[9140C6701010901] ; National Natural Science Foundation of China[10776029] ; National Natural Science Foundation of China[10776022] ; Doctoral Program of Higher Education[20090181110080]
WOS研究方向	Physics
WOS类目	Physics, Condensed Matter
WOS记录号	WOS:000284720300019
出版者	PERGAMON-ELSEVIER SCIENCE LTD
引用统计	被引频次：1[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/102392
专题	中国科学院金属研究所
通讯作者	Hu, Cui-E
作者单位	1.China Acad Engn Phys, Inst Fluid Phys, Natl Key Lab Shock Wave & Detonat Phys Res, Mianyang 621900, Peoples R China 2.Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China 3.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Hu, Cui-E,Zeng, Zhao-Yi,Zhang, Lin,et al. First-principles investigation of the concentration-dependent phase transition of CexTh1-x alloys[J]. SOLID STATE COMMUNICATIONS,2010,150(47-48):2362-2365.
APA	Hu, Cui-E,Zeng, Zhao-Yi,Zhang, Lin,Chen, Xiang-Rong,&Cai, Ling-Cang.(2010).First-principles investigation of the concentration-dependent phase transition of CexTh1-x alloys.SOLID STATE COMMUNICATIONS,150(47-48),2362-2365.
MLA	Hu, Cui-E,et al."First-principles investigation of the concentration-dependent phase transition of CexTh1-x alloys".SOLID STATE COMMUNICATIONS 150.47-48(2010):2362-2365.