title: Giant topological nontrivial band gaps in chloridized gallium bismuthide.
abstract: 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 spin-orbit 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 Γ 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.
authors.affiliation: School of Physics and State Key Laboratory of Crystal Materials, Shandong University , Jinan, Shandong 250100, China.
authors.forename: Linyang
authors.initials: L
authors.lastname: Li
authors.forename: Xiaoming
authors.initials: X
authors.lastname: Zhang
authors.forename: Xin
authors.initials: X
authors.lastname: Chen
authors.forename: Mingwen
authors.initials: M
authors.lastname: Zhao
keywords: band inversion; first-principles calculations; gapless edge states; large band gap; quantum spin Hall insulator; two-dimensional chloridized gallium bismuthide