Electronic and magnetic properties of two-dimensional Li${}_3$N

Using first-principles plane-wave calculations study of electronic and magnetic properties of hypothetical two-dimensional structure of Li${}_2$N compound have been conducted. Calculations show, that electronic properties of this this structure can be inflenced by hydrogenation, which may change the system from wide-gap semiconductor to metal. Also, non-zero magnetic moment, equal to 1 ${\mu }_B$ can be generated by intruduction of H vacanies in hydrogenated structure.