First-principle calculation on the structural stability of CeAg

IMR OpenIR

	First-principle calculation on the structural stability of CeAg
	Y. S. Zhang; K. L. Yao; Z. L. Liu
	2005
发表期刊	Solid State Communications
ISSN	0038-1098
卷号	134 期号:5 页码:343-348
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.
部门归属	huazhong univ sci & technol, dept phys, wuhan 430074, peoples r china. huazhong univ sci & technol, state key lab laser technol, wuhan 430074, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china.;zhang, ys (reprint author), huazhong univ sci & technol, dept phys, wuhan 430074, peoples r china;zhangysthinker@hotmail.com
关键词	Ceag Atomic Shifts E. Fp_lapw Generalized Gradient Approximation Transformation Laagxin1-x
URL	查看原文
WOS记录号	WOS:000228714800009
引用统计	被引频次：2[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/321006/35243
专题	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.