Structural and elastic properties of AlB2 compound via first-principles calculations

doi:10.1016/j.physb.2006.05.428

IMR OpenIR

	Structural and elastic properties of AlB2 compound via first-principles calculations
	Liu, Ke ; Zhou, Xiao-Lin ; Chen, Xiang-Rong ; Zhu, Wen-Jun
通讯作者	Chen, Xiang-Rong(xrchen@126.com)
	2007-01-15
发表期刊	PHYSICA B-CONDENSED MATTER
ISSN	0921-4526
卷号	388 期号:1-2 页码:213-218
摘要	The equilibrium lattice constants, five independent elastic constants and Debye temperature of HCP structure AlB2 are investigated by using a first-principles plane wave method with the relativistic analytic pseudopotential of Hartwigsen, Goedecker and flutter scheme in the frame of density functional theory. The equilibrium lattice constants obtained are in good agreement with the available experimental data and other theoretical results. No theoretical or experimental data for our calculated elastic constants and Debye temperature are yet available for our comparison. (c) 2006 Elsevier B.V. All rights reserved.
关键词	local density approximation elastic constants Debye temperature AlB2
DOI	10.1016/j.physb.2006.05.428
收录类别	SCI
语种	英语
WOS研究方向	Physics
WOS类目	Physics, Condensed Matter
WOS记录号	WOS:000243887400034
出版者	ELSEVIER SCIENCE BV
引用统计	被引频次：25[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/321006/91550
专题	中国科学院金属研究所
通讯作者	Chen, Xiang-Rong
作者单位	1.Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China 2.Chinese Acad Sci, Int Ctr Mat Phys, Chengdu 610066, Peoples R China 3.China Acad Engn Phys, Inst Fluid Phys, Lab Shock Wave & Detonat Phys Res, Mianyang 621900, Peoples R China 4.Sichuan Normal Univ, Dept Phys, Chengdu 610044, Peoples R China
推荐引用方式 GB/T 7714	Liu, Ke,Zhou, Xiao-Lin,Chen, Xiang-Rong,et al. Structural and elastic properties of AlB2 compound via first-principles calculations[J]. PHYSICA B-CONDENSED MATTER,2007,388(1-2):213-218.
APA	Liu, Ke,Zhou, Xiao-Lin,Chen, Xiang-Rong,&Zhu, Wen-Jun.(2007).Structural and elastic properties of AlB2 compound via first-principles calculations.PHYSICA B-CONDENSED MATTER,388(1-2),213-218.
MLA	Liu, Ke,et al."Structural and elastic properties of AlB2 compound via first-principles calculations".PHYSICA B-CONDENSED MATTER 388.1-2(2007):213-218.