Structural and elastic properties of typical equiatomic ternary intermetallic compound TiNiSi under pressure

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	Structural and elastic properties of typical equiatomic ternary intermetallic compound TiNiSi under pressure
	B. Kong; X. R. Chen; L. C. Cai; J. Zhu
	2010
发表期刊	Physica B-Condensed Matter
ISSN	0921-4526
卷号	405 期号:6 页码:1591-1595
摘要	The structural, elastic, and electronic properties of typical equiatomic ternary intermetallic compound orthorhombic TiNiSi are investigated using the pseudopotential plane wave method within the generalized gradient approximation (GGA). The calculated structural parameters are in good agreement with the available experimental data The elastic constants and their pressure dependences are calculated using the static finite strain technique. From the analysis of the mechanical stability, the good stabilization of the orthorhombic TiNiSi is supported Band Structures show that the orthorhombic structure TiNiSi is a semimetal, even under pressure up to 100 GPa (c) 2009 Elsevier B.V. All rights reserved
部门归属	[kong, bo; chen, xiang-rong; zhu, jun] sichuan univ, sch 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] china acad engn phys, lab shock wave & detonat phys res, inst fluid phys, mianyang 621900, peoples r china.;chen, xr (reprint author), sichuan univ, sch phys sci & technol, chengdu 610064, peoples r china
关键词	Tinisi Electronic Structure Elastic Properties Generalized Gradient Approximation Electronic-structure Crystals Magnetism Instabilities Silicides Constants
URL	查看原文
WOS记录号	WOS:000275613900027
引用统计	被引频次：6[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/321006/31184
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	B. Kong,X. R. Chen,L. C. Cai,et al. Structural and elastic properties of typical equiatomic ternary intermetallic compound TiNiSi under pressure[J]. Physica B-Condensed Matter,2010,405(6):1591-1595.
APA	B. Kong,X. R. Chen,L. C. Cai,&J. Zhu.(2010).Structural and elastic properties of typical equiatomic ternary intermetallic compound TiNiSi under pressure.Physica B-Condensed Matter,405(6),1591-1595.
MLA	B. Kong,et al."Structural and elastic properties of typical equiatomic ternary intermetallic compound TiNiSi under pressure".Physica B-Condensed Matter 405.6(2010):1591-1595.