First-principles calculations of elastic properties of LiBC

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	First-principles calculations of elastic properties of LiBC
	Z. L. Liu; X. R. Chen; Y. L. Wang
	2006
发表期刊	Physica B-Condensed Matter
ISSN	0921-4526
卷号	381 期号:1-2 页码:139-143
摘要	We employ all-electron full-potential linearized muffin-tin orbital method (FP-LMTO) within the frame of density functional theory (DFT) to calculate the equilibrium lattice parameters, five independent elastic constants and Debye temperature of LiBC. The equilibrium lattice parameters obtained are in good agreement with experimental data and those by others. The Debye temperature OD from the calculated elastic constants of LiBC is higher than that of MgB(2) and TiB(2). The anisotropies of the three types of elastic waves in LiBC at zero pressure have been discussed. It is found that the anisotropy of compressional waves in LiBC is considerably larger than that in MgB(2) and TiB(2). (c) 2006 Elsevier B.V. All rights reserved.
部门归属	sichuan univ, inst atom & mol phys, chengdu 610064, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;chen, xr (reprint author), sichuan univ, inst atom & mol phys, chengdu 610064, peoples r china;xrchen@126.com
关键词	Elastic Constants Debye Temperature Anisotropy Libc Superconducting Mgb2 Transition-metals High-pressure Constants Diboride Systems Model Band
URL	查看原文
WOS记录号	WOS:000238664400024
引用统计	被引频次：23[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/321006/34374
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Z. L. Liu,X. R. Chen,Y. L. Wang. First-principles calculations of elastic properties of LiBC[J]. Physica B-Condensed Matter,2006,381(1-2):139-143.
APA	Z. L. Liu,X. R. Chen,&Y. L. Wang.(2006).First-principles calculations of elastic properties of LiBC.Physica B-Condensed Matter,381(1-2),139-143.
MLA	Z. L. Liu,et al."First-principles calculations of elastic properties of LiBC".Physica B-Condensed Matter 381.1-2(2006):139-143.