Unexpected Giant-Gap Quantum Spin Hall Insulator in Chemically Decorated Plumbene Monolayer

被引:207
作者
Zhao, Hui [1 ]
Zhang, Chang-wen [1 ]
Ji, Wei-xiao [1 ]
Zhang, Run-wu [1 ]
Li, Sheng-shi [2 ]
Yan, Shi-shen [2 ]
Zhang, Bao-min [1 ]
Li, Ping [1 ]
Wang, Pei-ji [1 ]
机构
[1] Univ Jinan, Sch Phys & Technol, Jinan 250022, Shandong, Peoples R China
[2] Shandong Univ, Sch Phys, State Key Lab Crystal Mat, Jinan 250100, Shandong, Peoples R China
来源
SCIENTIFIC REPORTS | 2016年 / 6卷
基金
中国国家自然科学基金;
关键词
TOTAL-ENERGY CALCULATIONS; TOPOLOGICAL INSULATORS; SCHEMES; SURFACE; STATE;
D O I
10.1038/srep20152
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
Quantum spin Hall (QSH) effect of two-dimensional (2D) materials features edge states that are topologically protected from backscattering by time-reversal symmetry. However, the major obstacles to the application for QSH effect are the lack of suitable QSH insulators with a large bulk gap. Here, we predict a novel class of 2D QSH insulators in X-decorated plumbene monolayers (PbX; X = H, F, Cl, Br, I) with extraordinarily giant bulk gaps from 1.03 eV to a record value of 1.34 eV. The topological characteristic of PbX mainly originates from s-p(x,y) band inversion related to the lattice symmetry, while the effect of spin-orbital coupling (SOC) is only to open up a giant gap. Their QSH states are identified by nontrivial topological invariant Z(2) = 1, as well as a single pair of topologically protected helical edge states locating inside the bulk gap. Noticeably, the QSH gaps of PbX are tunable and robust via external strain. We also propose high-dielectric-constant BN as an ideal substrate for the experimental realization of PbX, maintaining its nontrivial topology. These novel QSH insulators with giant gaps are a promising platform to enrich topological phenomena and expand potential applications at high temperature.
引用
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页数:8
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