Topological insulators with unexpectedly HgTe-like band inversion in hexagonal wurtzite-type binary compounds

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	Topological insulators with unexpectedly HgTe-like band inversion in hexagonal wurtzite-type binary compounds
	Zhang, XM ; Ma, RS ; Liu, XC ; Xu, GZ ; Liu, EK ; Liu, GD ; Liu, ZY ; Wang, WH ; Wu, GH
刊名	EPL
	2013
卷号	103 期号:5
ISSN号	0295-5075
通讯作者	Zhang, XM (reprint author), Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China.
中文摘要	By using first-principles calculations, we propose a new topological insulator family in hexagonal wurtzite-type binary compounds. As a result, we found that two compounds AuI and strained-AgI are three-dimensional topological insulators with a naturally opened band gap at the Fermi level. By considering the band inversion mechanism, this new family of topological insulators shows an unexpectedly HgTe-like, i. e., s(Gamma(6))-p(Gamma(8)) band inversion. These findings suggest that, in these wurtzite-type compounds, the spin-orbit coupling may not play a crucial role in the band inversion mechanism; on the contrary, it is mainly responsible for the formation of the global band gaps. We further theoretically explore the feasibility of tuning the topological order of the wurtzite compounds AuI and AgI with two types of strains (hydrostatic and uniaxial). The results indicate that the uniaxial strain can significantly influence the band inversion behavior and the underlying physical mechanism is discussed. Copyright (C) EPLA, 2013
资助信息	National Basic Research Program of China (973 Program) [2012CB619405]; National Natural Science Foundation of China [51071172, 51171207, 51021061]
语种	英语
公开日期	2014-01-17
内容类型	期刊论文
源URL	[http://ir.iphy.ac.cn/handle/311004/57609]
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,Ma, RS,Liu, XC,et al. Topological insulators with unexpectedly HgTe-like band inversion in hexagonal wurtzite-type binary compounds[J]. EPL,2013,103(5).
APA	Zhang, XM.,Ma, RS.,Liu, XC.,Xu, GZ.,Liu, EK.,...&Wu, GH.(2013).Topological insulators with unexpectedly HgTe-like band inversion in hexagonal wurtzite-type binary compounds.EPL,103(5).
MLA	Zhang, XM,et al."Topological insulators with unexpectedly HgTe-like band inversion in hexagonal wurtzite-type binary compounds".EPL 103.5(2013).