We study the bending of rectangular atomic monolayers along different directions from first
principles. Specifically, choosing the phosphorene, GeS, TiS 3, and As 2 S 3 monolayers as …

Biaxial strain effects on the electronic and optical properties of the Ge 2 SeS monolayer
were studied using the first-principles calculations in the present work. The band gap …

Using first-principles calculations in the framework of density functional theory (DFT), we
systematically carry out the dynamic stability, electronic and optical properties of the Janus …

In this present work, comprehensive investigations of the electronic structure, thermoelectric
and optical properties of the Janus In 2 STe monolayer have been performed using density …

In the 2D materials field, Si 2 XY Janus monolayers have gained more attention with the
help of their distinct optical and electronic properties. The Ab Initio Molecular Dynamics …

Strain plays a very important role in tuning the properties of the materials for the desired
applications. In the present work, we have investigated the variation of strain on the …