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Ab initio study of topological surface states of strained HgTe

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Wu,  Shu-Chun
Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Yan,  Binghai
Binghai Yan, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Felser,  Claudia
Claudia Felser, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Citation

Wu, S.-C., Yan, B., & Felser, C. (2014). Ab initio study of topological surface states of strained HgTe. EPL, 107(5): 57006, pp. 1-5. doi:10.1209/0295-5075/107/57006.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0023-F1C2-0
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 Gamma-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 Bi2Se3-type topological insulator. For the Hg-terminated surface, three Dirac cones appear at three time-reversal-invariant momenta, excluding the Gamma-point, with non-trivial spin textures. Copyright (C) EPLA, 2014