Prediction of topological insulating behavior in inverse Heusler compounds from first principles

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	Prediction of topological insulating behavior in inverse Heusler compounds from first principles
	Zhang, XM ; Liu, EK ; Liu, ZY ; Liu, GD ; Wu, GH ; Wang, WH
刊名	COMPUTATIONAL MATERIALS SCIENCE
	2013
卷号	70 页码:145
关键词	Topological insulator Heusler compound Electronic structure
ISSN号	0927-0256
通讯作者	Wang, WH (reprint author), Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100080, Peoples R China.
中文摘要	The topological band structures of the X(2)YZ inverse Heusler compounds have been investigated by the first-principle calculations. The results of this study clearly indicate that a large number of inverse Heusler compounds naturally exhibit an inverted band structure. We found that, similar to the half-Heusler family, these inverse Heusler compounds can realize the topological insulating state under hydrostatic or uniaxial lattice expansion. Importantly, most of these compounds possess a negative formation energy, which makes them more suitable in material growth and could easily achieve the topological insulating behavior by alloying or proper strain. (C) 2012 Elsevier B. V. All rights reserved.
资助信息	National Natural Science Foundation of China [51171207]; National Basic Research Program of China [973 Programs: 2012CB619405]
语种	英语
公开日期	2014-01-16
内容类型	期刊论文
源URL	[http://ir.iphy.ac.cn/handle/311004/57347]
专题	物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文
推荐引用方式 GB/T 7714	Zhang, XM,Liu, EK,Liu, ZY,et al. Prediction of topological insulating behavior in inverse Heusler compounds from first principles[J]. COMPUTATIONAL MATERIALS SCIENCE,2013,70:145.
APA	Zhang, XM,Liu, EK,Liu, ZY,Liu, GD,Wu, GH,&Wang, WH.(2013).Prediction of topological insulating behavior in inverse Heusler compounds from first principles.COMPUTATIONAL MATERIALS SCIENCE,70,145.
MLA	Zhang, XM,et al."Prediction of topological insulating behavior in inverse Heusler compounds from first principles".COMPUTATIONAL MATERIALS SCIENCE 70(2013):145.