Theoretical Prediction of Topological Insulators in Thallium-based III-V-VI$_2$ Ternary Chalcogenides

Details Theoretical Prediction of Topological Insulators in Thallium-based III-V-VI$_2$ Ternary Chalcogenides Theoretical Prediction of Topological Insulators in Thallium-based III-V-VI$_2$ Ternary Chalcogenides

2010-02-27

arxiv.org/abs/1003.0074v1

Europhysics Letters 90, 37002 (2010)

Physics

Condensed Matter

Materials Science

5 pages, 4 figures

Scientific paper

We predict a new class of three dimensional topological insulators in thallium-based III-V-VI$_2$ ternary chalcogenides, including TlBiQ$_2$ and TlSbQ$_2$ (Q = Te, Se and S). These topological insulators have robust and simple surface states consisting of a single Dirac cone at the $\Gamma$ 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, TlBiTe$_2$ is also a superconductor when doped with $p$-type carriers. We discuss the possibility that this material could be a topological superconductor. Another material TlSbS$_2$ is on the border between topological insulator and trivial insulator phases, in which a topological phase transition can be driven by pressure.

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