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We investigate the effect of a non-magnetic donor impurity located at thesurface of the SnTe topological crystalline insulator. In particular, thechanges on the surface states due to a Sb impurity atom are analyzed by meansof ab initio simulations of pristine and impurity-doped SnTe. Bothsemi-infinite and slab geometries are considered within the first-principlesapproach. Furthermore, minimal and Green's function continuum models areproposed with the same goal. We find that the Dirac cones are shifted down inenergy upon doping; this shift strongly depends on the position of the impuritywith respect to the surface. In addition, we observe that the width of theimpurity band presents an even-odd behavior by varying the position of theimpurity. This behavior is related to the position of the nodes of the wavefunction with respect to the surface, and hence it is a manifestation ofconfinement effects. We compare slab and semi-infinite geometries within the abinitio approach, demonstrating that the surface states remain gapless and theirspin textures are unaltered in the doped semi-infinite system. In the slabgeometry, a gap opens due to hybridization of the states localized at oppositesurfaces. Finally, by means of a continuum model, we extrapolate our results toarbitrary positions of the impurity, clearly showing a non-monotonic behaviorof the Dirac cone.

Persistence of symmetry-protected Dirac points at the surface of the topological crystalline insulator SnTe upon impurity doping