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 MnBi2Se4\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$MnBi_{2} Se_{4}$$\end{document} monolayer within GGA + U exhibits semiconducting behavior using spin–orbit coupling. In the low-energy range, MnBi2Se4\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$MnBi_{2} Se_{4}$$\end{document} provides the conditions for the existence of the transverse-electric mode. Our results suggest that MnBi2Se4\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$MnBi_{2} Se_{4}$$\end{document} is a good candidate for ultraviolet absorber materials for optoelectronic and adsorbent surfaces in solar cell applications and spin transistors.