Using first principle study, we investigate the structural, electronic and optical properties of
lithium halide monolayers (LiF, LiCl, LiBr). In contrast to graphene and other graphene-like
structures that form hexagonal rings in plane, these compounds can form and stabilize in
cubic shape interestingly. The type of band structure in these insulators is identified as
indirect type and ionic nature of their bonds are illustrated as well. The optical properties
demonstrate extremely transparent feature for them as a result of wide band gap in the …