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

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

研究成果: 雜誌貢獻文章

1 引文 斯高帕斯(Scopus)

摘要

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.

原文英語
文章編號224902
期刊Journal of Applied Physics
122
發行號22
DOIs
出版狀態已發佈 - 2017 十二月 14

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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