Electronic and optical properties of monolayer TiS3: DFT calculation

The present study aimed to investigate the properties of Monolayer TiS3. The novel properties such as high mobility, facile synthesis, non-toxic, and cost-effective, candidate Monolayer TiS3 as a suitable replacement for Phosphorene, MoS2, MoSe2, and Graphene. Inclusive applications in optics and electronics tempt researchers to study TiS3 by experiments and calculations. In this work, the electrical properties were calculated, and then optical properties like dielectric function, reflectivity, absorption and refraction, extinction coefficient, optical conductivity, electron energy loss function were investigated. Results show monolayer TiS3 is non-magnetic, and it can be used in high frequency in UV devices, polarizer in a different direction for specified frequencies, as a frequency selector, and valuable device in analyzers applications.