  In the context of characterizing nitrogen poor carbo-nitrides for different
applications, identification of an unusual onset of spin polarization of N(p)
states has been shown. A full saturation up to 3 Bohr magnetons is demonstrated
in extended two-dimensional carbon networks of C6N and C12N hexagonal
structures refined based on density functional theory calculations. From
establishing the energy-volume equations of states in both compounds assuming
spin degenerate (non spin polarized) and spin-polarized configurations, the
ground state is identified as ferromagnetic. The variation of magnetization
with volume points to strongly ferromagnetic behavior

Computational Physics;Materials Science