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 $μ_{B}$ can be generated by intruduction of H vacanies in hydrogenated structure.

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