Large-gap quantum spin hall insulator in single layer bismuth monobromide Bi₄Br₄

Quantum spin Hall (QSH) insulators have gapless topological edge states inside the bulk band gap, which can serve as dissipationless spin current channels. The major challenge currently is to find suitable materials for this topological state. Here, we predict a new large-gap QSH insulator with bulk direct band gap of ∼0.18 eV, in single-layer Bi₄Br₄, which could be exfoliated from its three-dimensional bulk material due to the weakly bonded layered structure. The band gap of single-layer Bi ₄Br₄ is tunable via strain engineering, and the QSH phase is robust against external strain. Moreover, because this material consists of special one-dimensional molecular chain as its basic building block, the single layer Bi₄Br₄ could be torn to ribbons with clean and atomically sharp edges. These nanoribbons, which have single-Dirac-cone edge states crossing the bulk band gap, are ideal wires for dissipationless transport. Our work thus provides a new promising material for experimental studies and practical applications of the QSH effect.