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

Abstract

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.

5 pages, 4 figures

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• Direct Evidence for the Dirac-Cone Topological Surface States in Ternary Chalcogenide TlBiSe2
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• Topological insulators and fractional quantum Hall effect on the ruby lattice
• Experimental verification of PbBi${}_2$Te${}_4$ as a 3D topological insulator
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• Prediction of weak topological insulators in layered semiconductors
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• Topological Surface States with Persistent High Spin Polarization across Dirac Point in Bi${}_2$Te${}_2$Se and Bi${}_2$Se${}_2$Te
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• Effect of finite temperature and uniaxial anisotropy on the Casimir effect with three-dimensional topological insulators
• Topological insulators from the Perspective of first-principles calculations
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• Observation of a Highly Spin Polarized Topological Surface State in GeBi${}_2$Te${}_4$
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• First-principles calculation of topological invariants Z2 within the FP-LAPW formalism
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• Theoretical prediction of topological insulator in ternary rare earth chalcogenides
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