paper

Ab initio study of topological surface states of strained HgTe

arXiv:1404.6085 · doi:10.1209/0295-5075/107/57006

Abstract

The topological surface states of mercury telluride (HgTe) are studied by ab initio calculations assuming different strains and surface terminations. For the Te-terminated surface, a single Dirac cone exists at the point. The Dirac point shifts up from the bulk valence bands into the energy gap when the substrate-induced strain increases. At the experimental strain value (0.3%), the Dirac point lies slightly below the bulk valence band maximum. A left-handed spin texture was observed in the upper Dirac cone, similar to that of the BiSe-type topological insulator. For the Hg-terminated surface, three Dirac cones appear at three time-reversal-invariant momenta, excluding the point, with nontrivial spin textures.

4 pages, 3 figures

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