Electronic structures and optical properties of monolayer borophenes

In this paper, we theoretically investigated the electronic and optical properties of monolayer borophene, including the electronic energy band, density of states (DOS), dielectric function, and absorption spectra and the charge distribution. The calculated phonon spectra and phononic DOS confirm that the four kinds of monolayer borophene structures can stably exist. Two-dimensional (2D) borophene exhibits apparent optical anisotropy in visible and near infrared (NIR) regions. Our results provide a reliable theoretical base for the application of monolayer borophene in optoelectronic devices.