Elastic, electronic, and optical properties of monolayer MnBi₂Se₄

We investigated the elastic properties, bandgap, and optical spectra of monolayer MnBi₂Se₄ using a combination of density functional theory, as carried out in the Quantum Espresso code. Young’s modulus and Poisson’s coefficient were calculated. The AFM \(MnBi_{2} Se_{4}\) $MnB{i}_{2}S{e}_4$ monolayer within GGA + U exhibits semiconducting behavior using spin–orbit coupling. In the low-energy range, \(MnBi_{2} Se_{4}\) $MnB{i}_{2}S{e}_4$ provides the conditions for the existence of the transverse-electric mode. Our results suggest that \(MnBi_{2} Se_{4}\) $MnB{i}_{2}S{e}_4$ is a good candidate for ultraviolet absorber materials for optoelectronic and adsorbent surfaces in solar cell applications and spin transistors.