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We have designed three-dimensional models of topological insulator thinfilms, showing a tunability of the odd number of Dirac cones on oppositesurfaces driven by the atomic-scale geometry at the boundaries. This enablescreation of a single Dirac cone at the $\Gamma$-point as well as possiblesuppression of quantum tunneling between Dirac states at opposite surfaces (andgap formation), when opposite surfaces are geometrically differentiated. Thespin texture of surface states was found to change from a spin-momentum-lockingsymmetry to a progressive loss in surface spin polarization upon theintroduction of bulk disorder, related to the penetration of boundary statesinside the bulk. These findings illustrate the richness of the Dirac physicsemerging in thin films of topological insulators and may prove utile forengineering Dirac cones and for quantifying bulk disorder in materials withultraclean surfaces.

Three-dimensional Models of Topological Insulator Films: Dirac Cone Engineering and Spin Texture Robustness