Single-dirac-cone topological surface states in the TlBiSe2 class of topological semiconductors

Hsin Lin, R. S. Markiewicz, L. A. Wray, L. Fu, M. Z. Hasan, A. Bansil

Research output: Contribution to journalArticlepeer-review

187 Scopus citations


We investigate several strong spin-orbit coupling ternary chalcogenides related to the (Pb,Sn)Te series of compounds. Our first-principles calculations predict the low-temperature rhombohedral ordered phase in TlBiTe2, TlBiSe2, and TlSbX2 (X=Te, Se, S) to be topologically nontrivial. We identify the specific surface termination that realizes the single Dirac cone through first-principles surface state computations. This termination minimizes effects of dangling bonds, making it favorable for photoemission experiments. In addition, our analysis predicts that thin films of these materials could harbor novel 2D quantum spin Hall states, and support odd-parity topological superconductivity.

Original languageEnglish (US)
Article number036404
JournalPhysical review letters
Issue number3
StatePublished - Jul 16 2010

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy


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