Engineering the optical and electronic properties of metal adsorbed Ga2SSe Janus monolayer by applying biaxial tensile and compression strain

The electronic structure and optical characteristics of metal (Ag, Al, Au, and Cu) adsorbed Ga2SSe janus monolayer under biaxial strain are investigated in detail using density function theory (DFT) calculations. Results suggest that copper doped (Ga2SSe/Cu) strained janus monolayer exhibit enhanced absorption in the visible range (similar to 380-630 nm) as compared with Ga2SSe metal adsorbed structures. Other strained structures also result in superior absorption in the entire visible range (similar to 380-780 nm) in comparison with pristine Ga2SSe monolayer. Compression in metal adsorbed structures result in lower absorption, tensile strain further lowers absorption in visible region, except in Cu doped structure where compression increases absorption in visible region. Optical absorption is consistent with the calculated refractive index and dielectric function for all the compressed and strained structures. Strain and compression are inevitable defects and must be considered in simulation models of the applications of these materials for obtaining accurate results. Also, strain induced variation in electronic properties of Janus structures finds potential in optoelectronic applications.