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

Binghai Yan, Chao Xing Liu, Hai Jun Zhang, Chi Yung Yam, Xiao Liang Qi, Thomas Frauenheim, Shou Cheng Zhang

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Abstract

We predict a new class of three-dimensional topological insulators in thallium-based III-V-VI2 ternary chalcogenides, including TlBiQ 2 and TlSbQ2 (Q=Te, Se and S). These topological insulators have robust and simple surface states consisting of a single Dirac cone at the Γ 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 superconductor when doped with p-type carriers. We discuss the possibility that this material could be a topological superconductor. Another material, TlSbS2, is on the border between topological insulator and trivial insulator phases, in which a topological phase transition can be driven by pressure.

Original languageEnglish (US)
Article number37002
JournalEPL
Volume90
Issue number3
DOIs
Publication statusPublished - Jun 14 2010

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All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

Cite this

Yan, B., Liu, C. X., Zhang, H. J., Yam, C. Y., Qi, X. L., Frauenheim, T., & Zhang, S. C. (2010). Theoretical prediction of topological insulators in thallium-based III-V-VI2 ternary chalcogenides. EPL, 90(3), [37002]. https://doi.org/10.1209/0295-5075/90/37002