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Research on two-dimensional (2D) topological insulators (TIs) is obstructeddue to the lack of feasible approaches to growing 2D TIs in experiments.Through systematic first-principles calculations and tight-binding simulations,we propose that alloying Os in 2D MoX2 (X = S, Se, Te) monolayers is aneffective approach to inducing semiconductor-to-TI transitions, with sizablenontrivial gaps of 25-37 meV. Analysis of the electronic structures revealsthat the topological property mainly originates from the 5d orbitals of the Osatom. Furthermore, the TI gaps can be modulated by external biaxial strain.

Alloying-induced topological transition in 2D transition-metal dichalcogenide semiconductors