Topological insulating states in 2D transition metal dichalcogenides   induced by defects and strain

doi:10.1039/c6nr07851f

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	Topological insulating states in 2D transition metal dichalcogenides induced by defects and strain
	Li, Xiaoyin ; Zhang, Shunhong ; Wang, Qian
刊名	NANOSCALE
	2017
关键词	MONOLAYER MOLYBDENUM-DISULFIDE HGTE QUANTUM-WELLS DIRECT-BAND-GAP MOLECULAR-DYNAMICS PHASE-TRANSITION GRAIN-BOUNDARIES ELECTRIC-FIELD MOS2 EFFICIENT FILMS
DOI	10.1039/c6nr07851f
英文摘要	First-principles calculations and extensive analyses reveal that the H phase of two-dimensional (2D) transition metal dichalcogenides (TMDs) can be tuned to topological insulators by introducing squareoctagon (4-8) defects and by applying equi-biaxial tensile strain simultaneously. The 2D structure composed of hexagonal rings with 4-8 defects, named sho-TMD, is dynamically and thermally stable. The critical equi-biaxial tensile strain for the topological phase transition is 4%, 6%, and 4% for sho-MoS2, sho-MoSe2 and sho-WS2, respectively, and the corresponding nontrivial band gap induced by the spin-orbit coupling is 2, 8, and 22 meV, implying the possibility of observing the helical conducting edge states that are free of backscattering in experiment. It is equally interesting that the size of the energy band gap of the H-phase can be flexibly tuned by changing the concentration of 4-8 defects while the feature of the quasi-direct band gap semiconductor remains. These findings add additional traits to the TMD family, and provide a new strategy for engineering the electronic structure and the band topology of 2D TMDs for applications in nanoelectronics and spintronics.; National Natural Science Foundation of China [NSFC-51471004]; National Grand Fundamental Research 973 Program of China [2012CB921404]; Doctoral Program of Higher Education of China [20130001110033]; SCI(E); ARTICLE; 2; 562-569; 9
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/476257]
专题	工学院
推荐引用方式 GB/T 7714	Li, Xiaoyin,Zhang, Shunhong,Wang, Qian. Topological insulating states in 2D transition metal dichalcogenides induced by defects and strain[J]. NANOSCALE,2017.
APA	Li, Xiaoyin,Zhang, Shunhong,&Wang, Qian.(2017).Topological insulating states in 2D transition metal dichalcogenides induced by defects and strain.NANOSCALE.
MLA	Li, Xiaoyin,et al."Topological insulating states in 2D transition metal dichalcogenides induced by defects and strain".NANOSCALE (2017).