Ternary tetradymite compounds as topological insulators

TitleTernary tetradymite compounds as topological insulators
Publication TypeJournal Article
Year of Publication2011
AuthorsWang LL, Johnson DD
Journal TitlePhysical Review B
Volume83
Pages241309
Date Published06
Type of ArticleArticle
ISBN Number1098-0121
Accession NumberWOS:000292219500001
Keywordsbi2te3, ELECTRON-GAS, single dirac cone, surface, total-energy calculations, wave basis-set
Abstract

Ternary tetradymites Bi(2)Te(2)S, Bi(2)Te(2)Se, and Bi(2)Se(2)Te are found to be stable, bulk topological insulators via theory, showing band inversion between group V and VI p(z) orbitals. We identify Bi(2)Se(2)Te 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 (E(f))-like Bi(2)Se(3) but with a spin texture alterable by layer chemistry. In contrast, Bi(2)Te(2)S and Bi(2)Te(2)Se (111) behave like Bi(2)Te(3), with a DP below E(f) buried in bulk bands. Bi(2)Te(2)S offers large bulk resistivity needed for devices.

DOI10.1103/PhysRevB.83.241309
Alternate JournalPhys. Rev. B