Tunning the Band Gap of 1T’-WTe<sub>2</sub> by Uniaxial Strain

The QSH edge channels can be used to connect dissipationless nanoelectronic devices, when the topological states and bulk have perfectly spaced. But monolayer 1T’-WTe2 state is metallic nature, with channel lengths around 100 nm, which hinders its further study. By simulating different terminational states, using GGA-1/2 method calculate, we found a stable state. And under strain engineering, fixed a-axis, band gap gradually increases b-axis tensile. When tensile 2.9%, 245 meV. It greatly improves application of 1T’-WTe2. During phase transition material from half-metal insulator, topology remains unchanged, showing strong robustness. Thus introducing make suitable for fundamental research or electronic devices.