Chemical functionalization of ultrathin tin layers

Abstract

The electronic and dielectric properties of functionalized tin monolayers (stanene) using density-functional theory and GW approximation are investigated. Charge density analysis of organic ligands adsorbed on stanene shows that these groups are able to induce a bandgap with parabolic bands in the originally metallic stanene. Furthermore, GW calculations demonstrate that the dielectric properties of functionalized stanene show adsorption in the visible region which can render stanene suitable for optoelectronic applications.