Two-dimensional oxide topological insulator with iron-pnictide superconductor LiFeAs structure

By using first-principles calculations, we propose that ZrSiO can be looked at as a three-dimensional (3D) oxide weak topological insulator (TI) and its single layer is a long-sought-after 2D oxide TI with a band gap up to 30 meV. Calculated phonon spectrum of the single layer ZrSiO indicates it is dynamically stable and the experimental achievements in growing oxides with atomic precision ensure that it can be readily synthesized. This will lead to novel devices based on TIs, the so-called topotronic devices, operating under room temperature and stable when exposed in the air. Thus a new field of topotronics will arise. Another intriguing thing is this oxide 2D TI has the similar crystal structure as the well-known iron-pnictide superconductor LiFeAs. This brings great promise in realizing the combination of superconductor and TI, paving the way to various extraordinary quantum phenomena, such as topological superconductor and Majorana modes. We further find that there are many other isostructural compounds hosting the similar electronic structure and forming a WHM family with W being Zr, Hf, or La, H being group IV or group V element, and M being group VI one.