Theoretical prediction of topological insulators in thallium-based III-V-VI2 ternary chalcogenides

@article{Yan2010TheoreticalPO,
  title={Theoretical prediction of topological insulators in thallium-based III-V-VI2 ternary chalcogenides},
  author={Binghai Yan and Chaoxing Liu and Hai-Jun Zhang and Chiyung Yam and Xiao-liang Qi and Thomas Frauenheim and Shou-Cheng Zhang},
  journal={EPL},
  year={2010},
  volume={90},
  pages={37002}
}
We predict a new class of three-dimensional topological insulators in thallium-based III-V-VI2 ternary chalcogenides, including TlBiQ2 and TlSbQ2 (Q=Te, Se and S). These topological insulators have robust and simple surface states consisting of a single Dirac cone at the ? point. The mechanism for topological insulating behavior is elucidated using both first-principle calculations and effective field theory models. Remarkably, one topological insulator in this class, TlBiTe2, is also a… 

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