Topological insulators double perovskites: A2TePoO6 (A = Ca, Sr, Ba)

Po Han Lee, Jian Zhou, Shu Ting Pi*, Yin Kuo Wang

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)


Based on first-principle calculations and direct density functional theory calculations of surface bands, we predict a new class of three-dimensional (3D) Z2 topological insulators (TIs) with larger bulk bandgaps up to 0.4 eV in double perovskite materials A2TePoO6 (A = Ca, Sr, and Ba). The larger nontrivial gaps are induced by the symmetry-protected band contact along with band inversion occurring in the absence of spin-orbit coupling (SOC) making the SOC more effective than conventional TIs. The proposed materials are chemically inert and more robust to surface perturbations due to its intrinsic protection layer. This study provides the double perovskite material as a rich platform to design new TI-based electronic devices.

Original languageEnglish
Article number224902
JournalJournal of Applied Physics
Issue number22
Publication statusPublished - 2017 Dec 14

ASJC Scopus subject areas

  • General Physics and Astronomy


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