Giant Topological Nontrivial Band Gaps in Chloridized Gallium Bismuthide

被引:92
作者
Li, Linyang
Zhang, Xiaoming
Chen, Xin
Zhao, Mingwen [1 ]
机构
[1] Shandong Univ, Sch Phys, Jinan 250100, Shandong, Peoples R China
基金
中国国家自然科学基金;
关键词
quantum spin Hall insulator; two-dimensional chloridized gallium bismuthide; gapless edge states; large band gap; band inversion; first-principles calculations; SPIN HALL INSULATOR; ELECTRON LOCALIZATION; PREDICTION; TRANSITION; ELEMENTS; STATES;
D O I
10.1021/nl504493d
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Quantum spin Hall (QSH) effect is promising for achieving dissipationless transport devices but presently is achieved only at extremely low temperature. Searching for the large-gap QSH insulators with strong spinorbit coupling (SOC) is the key to increase the operating temperature. We demonstrate theoretically that this can be solved in the chloridized gallium bismuthide (GaBiCl2) monolayer, which has nontrivial gaps of 0.95 eV at the G point, and 0.65 eV for bulk, as well as gapless edge states in the nanoribbon structures. The nontrivial gaps due to the band inversion and SOC are robust against external strain. The realization of the GaBiCl2 monolayer will be beneficial for achieving QSH effect and related applications at high temperatures.
引用
收藏
页码:1296 / 1301
页数:6
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