Single Dirac Cone Topological Surface State and Unusual Thermoelectric Property of Compounds from a New Topological Insulator Family

Angle resolved photoemission spectroscopy study on TlBiTe2 and TlBiSe2 from a thallium-based ternary chalcogenides family revealed a single surface Dirac cone at the center of the Brillouin zone for both compounds. For TlBiSe2, the large bulk gap (∼200 meV) makes it a topological insulator with better mechanical properties than the previous binary 3D topological insualtor family. For TlBiTe2, the observed negative bulk gap indicates it as a semimetal, instead of a narrow-gap semiconductor as conventionally believed; this semimetality naturally explains its mysteriously small thermoelectric figure of merit comparing to other compounds in the family. Finally, the unique band structures of TlBiTe2 also suggest it as a candidate for topological superconductors.