Ternary Tetradymite Compounds as Topological Insulators

Abstract

Ternary tetradymites Bi2Te2S, Bi2Te2Se and Bi2Se2Te are found to be stable, bulk topological insulators via theory, showing band inversion between group V and VI pz orbitals. We identify Bi2Se2Te as a good candidate to study massive Dirac Fermions, with a (111) cleavage-surface-derived Dirac point (DP) isolated in the bulk band gap at the Fermi energy Ef like Bi2Se3 but with a spin texture alterable by layer chemistry. In contrast, Bi2Te2S and Bi2Te2Se (111) behave like Bi2Te3, with a DP below Ef buried in bulk bands. Bi2Te2S offers large bulk resistivity needed for devices.