First-Principles Analysis of Monolayer 1T′-WTe2 as the Narrow Bandgap 2D Semiconductor for Infrared Photodetection

Abstract

The distinctive material properties of monolayer 1T′Tungsten Ditelluride (WTe2) have drawn a lot of interest in optoelectronics. In this study, first-principle DFT calculations are carried out to examine the charge distribution and optical characteristics of monolayer 1T′-WTe2. The obtained results are further used to determine its potential for infrared photodetectors applications. It is found that the material has a narrow energy band gap, which indicates electronic transitions in the infrared spectral region. Moreover, optical spectrum measurements dis-play a distinct optical response along parallel and perpendicular directions. The material shows anisotropies and a high absorption coefficient in the infrared range. These features make the material a very good choice for infrared photodetection applications.