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

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

Research output: Contribution to journalArticle

Abstract

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
Volume122
Issue number22
DOIs
Publication statusPublished - 2017 Dec 14

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perovskites
insulators
orbits
platforms
inversions
density functional theory
perturbation
symmetry
electronics

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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Topological insulators double perovskites : A2TePoO6 (A = Ca, Sr, Ba). / Lee, Po Han; Zhou, Jian; Pi, Shu Ting; Wang, Yin Kuo.

In: Journal of Applied Physics, Vol. 122, No. 22, 224902, 14.12.2017.

Research output: Contribution to journalArticle

Lee, Po Han ; Zhou, Jian ; Pi, Shu Ting ; Wang, Yin Kuo. / Topological insulators double perovskites : A2TePoO6 (A = Ca, Sr, Ba). In: Journal of Applied Physics. 2017 ; Vol. 122, No. 22.
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