Electronic structure and magnetic ordering of NiN and Ni${}_2$N from first principles

Abdesalem Houari, Samir F. Matar, Volker Eyert

The results of first-principles electronic structure calculations for the nitrogen-rich nickel nitrides $\mathrm{NiN}$ and $\mathrm{N}{\mathrm{i}}_2\mathrm{N}$ are presented. The calculations are based…