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Research Article

Prediction of a large-gap quantum-spin-Hall insulator: Diamond-like GaBi bilayer

Aizhu Wang1,2, Aijun Du2( ), Mingwen Zhao1( )
School of Physics and State Key Laboratory of Crystal MaterialsShandong UniversityJinan250100China
School of ChemistryPhysics and Mechanical EngineeringQueensland University of TechnologyBrisbaneQLD4001Australia
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Abstract

A quantum-spin-Hall (QSH) state was achieved experimentally, albeit at a low critical temperature because of the narrow band gap of the bulk material. Twodimensional topological insulators are critically important for realizing novel topological applications. Using density functional theory (DFT), we demonstrated that hydrogenated GaBi bilayers (HGaBi) form a stable topological insulator with a large nontrivial band gap of 0.320 eV, based on the state-of-the-art hybrid functional method, which is implementable for achieving QSH states at room temperature. The nontrivial topological property of the HGaBi lattice can also be confirmed from the appearance of gapless edge states in the nanoribbon structure. Our results provide a versatile platform for hosting nontrivial topological states usable for important nanoelectronic device applications.

Keywords

topological insulatorsfirst-principles calculationstwo-dimensional cubic-diamond-like latticeRashba spin splittingband inversion

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Nano Research
Volume 8 Issue 12,
December 2015
Pages 3823-3829
DOI: 10.1007/s12274-015-0882-z
Cite this article:
Wang A, Du A, Zhao M. Prediction of a large-gap quantum-spin-Hall insulator: Diamond-like GaBi bilayer. Nano Research, 2015, 8(12): 3823-3829. https://doi.org/10.1007/s12274-015-0882-z

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Received: 01 June 2015
Revised: 19 July 2015
Accepted: 17 August 2015
Published: 16 September 2015
© Tsinghua University Press and Springer-Verlag Berlin Heidelberg 2015
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