Theoretical prediction of topological insulator in ternary rare earth chalcogenides

Binghai Yan, Hai Jun Zhang, Chao Xing Liu, Xiao Liang Qi, Thomas Frauenheim, Shou Cheng Zhang

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54 Scopus citations


A different class of three-dimensional topological insulator, ternary rare-earth chalcogenides, is theoretically investigated with ab initio calculations. Based on both bulk band-structure analysis and the direct calculation of topological surface states, we demonstrate that LaBiTe 3 is a topological insulator. La can be substituted by other rare earth elements, which provide candidates for novel topological states such as quantum anomalous Hall insulator, axionic insulator, and topological Kondo insulator. Moreover, YBiTe3 and YSbTe3 are found to be normal insulators. They can be used as protecting barrier materials for both LaBiTe3 and Bi2 Te3 families of topological insulators for their well-matched lattice constants and chemical composition.

Original languageEnglish (US)
Article number161108
JournalPhysical Review B - Condensed Matter and Materials Physics
Issue number16
StatePublished - Oct 29 2010

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics


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