Two dimensional topological insulators in bilayer BiB AITranslate

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DOI：https://doi.org/10.1016/j.commatsci.2018.12.060

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Highlights • With the help of first-principles calculations, we propose a new type of two dimensional (2D) topological insulator BiB with bilayer hexagonal lattice. • The spin-orbit coupling will turn this 2D material into topological insulators with nontrivial edge states. • Surprisingly, two mechanisms, including crystal field and strong SOC, induce two band inversions and manipulate the low energy electronic states simultaneously. • The BiB provides a fertile platform for studying the interactions between the two different mechanisms in the same topological insulator. With the help of first-principles calculations, we propose a new type of two dimensional (2D) topological insulator BiB with bilayer hexagonal lattice. Its dynamic stability was confirmed by the phonon spectrum. When spin-orbit coupling (SOC) effect is not considered, the low energy electronic states around the Fermi level show metallic characteristics. However, the SOC will induce a global band gap and turn this 2D material into topological insulators with nontrivial edge states. Surprisingly, two mechanisms, including crystal field and strong SOC, induce two band inversions and manipulate the low energy electronic states simultaneously. The BiB provides a fertile platform for studying the interactions between the two different mechanisms in the same topological insulator. Moreover, the sizable global nontrivial band gap indicates its high working temperature. Graphical abstract Download : Download high-res image (224KB) Download : Download full-size image