Structures and equation of state of epsilon-Fe under high pressure

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	Structures and equation of state of epsilon-Fe under high pressure
	Z. Y. Zeng; Z. L. Liu; X. R. Chen; L. C. Cai; F. Q. Jing
	2008
发表期刊	Chinese Physics Letters
ISSN	0256-307X
卷号	25 期号:5 页码:1757-1760
摘要	The equation of state (EOS) and the axial ratio c/a of epsilon-Fe at high pressures are investigated by using the generalized gradient approximation (GGA) within the plane-wave pseudopotential density functional theory (DFT). The results show that at the lower pressure, the EOS of ferromagnetic epsilon-Fe is consistent with the experimental result. While at higher pressure, the EOS of the nonmagnetic epsilon-Fe is in good agreement with the experimental result. Meanwhile, we find an obvious increase of the axial ratio c/a with pressure, and there is only a small increase with increasing temperature at high pressure.
部门归属	[zeng zhao-yi; liu zhong-li; chen xiang-rong; jing fu-qian] sichuan univ, coll phys sci & technol, chengdu 610064, peoples r china. [chen xiang-rong] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. [cai ling-cang; jing fu-qian] chinese acad sci, inst fluid phys, lab shock wave & detonat phys res, mianyang 621900, peoples r china.;chen, xr (reprint author), sichuan univ, coll phys sci & technol, chengdu 610064, peoples r china;xrchen@126.com
关键词	Earths Inner-core Elastic-constants Thermal-expansion Phase-stability Iron Temperature Anisotropy Energy Thermodynamics Compression
URL	查看原文
WOS记录号	WOS:000256248300064
引用统计	被引频次：3[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/321006/33305
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Z. Y. Zeng,Z. L. Liu,X. R. Chen,et al. Structures and equation of state of epsilon-Fe under high pressure[J]. Chinese Physics Letters,2008,25(5):1757-1760.
APA	Z. Y. Zeng,Z. L. Liu,X. R. Chen,L. C. Cai,&F. Q. Jing.(2008).Structures and equation of state of epsilon-Fe under high pressure.Chinese Physics Letters,25(5),1757-1760.
MLA	Z. Y. Zeng,et al."Structures and equation of state of epsilon-Fe under high pressure".Chinese Physics Letters 25.5(2008):1757-1760.