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Based on first-principles calculations, we predict Bi2TeI, a stoichiometriccompound synthesized, to be a weak topological insulator (TI) in layeredsubvalent bismuth telluroiodides. Within a bulk energy gap of 80 meV, twoDirac-cone-like topological surface states exist on the side surfaceperpendicular to BiTeI layer plane. These Dirac cones are relatively isotropicdue to the strong inter-layer coupling, distinguished from those of previouslyreported weak TI candidates. Moreover, with chemically stable cladding layers,the BiTeI-Bi2-BiTeI sandwiched structure is a robust quantum spin Hall system,which can be obtained by simply cleaving the bulk Bi2TeI.

Weak topological insulators induced by the inter-layer coupling: A first-principles study of stacked Bi2TeI