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

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)

Here, we report that 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. Our results suggest a new type of material suitable for practical applications of 2D TI at room-temperature.

View Accepted Manuscript (DOE)

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

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

OSTI ID:: 1259708

Alternate ID(s):: OSTI ID: 1265987

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

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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2D O-PTl monolayer: a robust large bandgap topological insulator Xue, Wenming; Li, Jin; Peng, Xiangyang Journal of Physics D: Applied Physics, Vol. 53, Issue 2 https://doi.org/10.1088/1361-6463/ab4b88	journal	October 2019
Electronic stopping power for slow ions in the low-hardness semimetal HgTe using first-principles calculations Fu, Yan-Long; Zhang, Zhao-Jun; Li, Chang-kai Journal of Physics: Condensed Matter, Vol. 32, Issue 10 https://doi.org/10.1088/1361-648x/ab598c	journal	December 2019
Structure of surface electronic states in strained mercury telluride Kibis, O. V.; Kyriienko, O.; Shelykh, I. A. New Journal of Physics, Vol. 21, Issue 4 https://doi.org/10.1088/1367-2630/ab1406	journal	April 2019
Realizing robust large-gap quantum spin Hall state in 2D HgTe monolayer on insulating substrate Qi, Can; Ouyang, Liying; Hu, Jun 2D Materials, Vol. 5, Issue 4 https://doi.org/10.1088/2053-1583/aad2ee	journal	July 2018
Robustness of topologically protected edge states in quantum walk experiments with neutral atoms Groh, Thorsten; Brakhane, Stefan; Alt, Wolfgang Physical Review A, Vol. 94, Issue 1 https://doi.org/10.1103/physreva.94.013620	journal	July 2016
Confined electron states in two-dimensional HgTe in magnetic field: Quantum dot versus quantum ring behavior Topalović, Dušan B.; Arsoski, Vladimir V.; Tadić, Milan Ž. Physical Review B, Vol. 100, Issue 12 https://doi.org/10.1103/physrevb.100.125304	journal	September 2019
Fundamental limits to helical edge conductivity due to spin-phonon scattering Groenendijk, Solofo; Dolcetto, Giacomo; Schmidt, Thomas L. Physical Review B, Vol. 97, Issue 24 https://doi.org/10.1103/physrevb.97.241406	journal	June 2018
Coemergence of Dirac and multi-Weyl topological excitations in pnictide antiperovskites Goh, Wen Fong; Pickett, Warren E. Physical Review B, Vol. 98, Issue 12 https://doi.org/10.1103/physrevb.98.125147	journal	September 2018
Discovering two-dimensional topological insulators from high-throughput computations Olsen, Thomas; Andersen, Erik; Okugawa, Takuya Physical Review Materials, Vol. 3, Issue 2 https://doi.org/10.1103/physrevmaterials.3.024005	journal	February 2019
Robustness of topologically protected edge states in quantum walk experiments with neutral atoms Groh, Thorsten; Brakhane, Stefan; Alt, Wolfgang arXiv https://doi.org/10.48550/arxiv.1605.03633	text	January 2016
Fundamental limits to helical edge conductivity due to spin-phonon scattering Groenendijk, Solofo; Dolcetto, Giacomo; Schmidt, Thomas L. arXiv https://doi.org/10.48550/arxiv.1711.07375	text	January 2017
Confined electron states in two-dimensional HgTe in magnetic field: Quantum-dot versus quantum-ring behavior Topalović, Dušan B.; Arsoski, Vladimir V.; Tadić, Milan Ž. arXiv https://doi.org/10.48550/arxiv.1909.08918	text	January 2019

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