Two-dimensional topological insulators with tunable band gaps: Single-layer HgTe and HgSe

Li, Jin; He, Chaoyu; Meng, Lijun; Xiao, Huaping; Tang, Chao; Wei, Xiaolin; Kim, Jinwoong; Kioussis, Nicholas; Stocks, G. Malcolm; Zhong, Jianxin

doi:10.1038/srep14115

Title: Two-dimensional topological insulators with tunable band gaps: Single-layer HgTe and HgSe

Journal Article · Mon Sep 14 00:00:00 EDT 2015 · Scientific Reports

DOI:https://doi.org/10.1038/srep14115· OSTI ID:1259708

Li, Jin ^[1]; He, Chaoyu ^[1]; Meng, Lijun ^[1]; Xiao, Huaping ^[1]; Tang, Chao ^[1]; Wei, Xiaolin ^[1]; Kim, Jinwoong ^[2]; Kioussis, Nicholas ^[2]; Stocks, G. Malcolm ^[3]; Zhong, Jianxin ^[1]

Xiangtan Univ., Hunan (People's Republic of China)
California State Univ., Northridge, CA (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Two-dimensional (2D) topological insulators (TIs) with large band gaps are of great importance for the future applications of quantum spin Hall (QSH) effect. Employing ab initio electronic calculations we propose a novel type of 2D topological insulators, the monolayer (ML) low-buckled (LB) mercury telluride (HgTe) and mercury selenide (HgSe), with tunable band gap. We demonstrate that LB HgTe (HgSe) monolayers undergo a trivial insulator to topological insulator transition under in-plane tensile strain of 2.6% (3.1%) due to the combination of the strain and the spin orbital coupling (SOC) effects. Furthermore, the band gaps can be tuned up to large values (0.2 eV for HgTe and 0.05 eV for HgSe) by tensile strain, which far exceed those of current experimentally realized 2D quantum spin Hall insulators. Lastly, our results suggest a new type of material suitable for practical applications of 2D TI at room-temperature.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: DMR-1205734; 11404275; 11474244; 4040204; 11204261; 11304264; 11204260; IRT13093; 2012CB921303; 2015CB921103; AC05-00OR22725

OSTI ID:: 1259708

Alternate ID(s):: OSTI ID: 1265987

Journal Information:: Scientific Reports, Vol. 5; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 40 works

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