Non-magnetic adsorbent functionalized magnetism and spin filtering in a two-dimensional GaN monolayer

Abstract

Exotic properties provided by the adsorption of non-magnetic Si atoms on a two-dimensional–GaN (2D–GaN) monolayer have been predicted using a generalized gradient approximation within density functional theory. This includes the occurrence of spin filtering, high magnetism and the continuous emission of electromagnetic radiation. A comprehensive ab-initio study of the structural, electronic, magnetic and optical properties of a 2D–GaN monolayer possessing several Si atoms as adsorbents has been performed. The semiconducting pure GaN monolayer was converted into its metallic analogue in several Si-adsorbed GaN monolayer systems. Along with the main strong absorption lying in the deep ultraviolet region near 5.5 eV observed in all of the Si-adsorbed 2D-GaN monolayer systems, a strong continuous absorption from the far infrared to visible light region has been observed in some of the systems studied. These systems may be useful for the development of light-emitting devices, which will emit in the various regions of the electromagnetic spectrum, including the visible light region. The emission in the deep ultraviolet light region may be used for sterilization, water purification etc.