FLAPW-GGA calculations were made of the magnetic and electronic properties of

cubic RuNx (x = 1.0, 0.75 or 0.50). It was found that RuN exhibited a

ferromagnetic ground state and the local ruthenium magnetic moment decreased

abruptly with nitrogen vacancies. The relative positions of t2g and eg states and the

Ru 4d–N 2p hybridization in RuNx were considered. It was also found that the

magnetic behaviour of RuNx, as compared with FeNx, depended upon the nitrogen

vacancy content and exhibited the reverse trend.

The Influence of Nitrogen Vacancies on the Magnetic and Electronic Properties of

Ruthenium Mononitride: First-Principles Study. V.V.Bannikov, I.R.Shein,

N.I.Medvedeva, A.L.Ivanovskii: Journal of Magnetism and Magnetic Materials,

2009, 321[21], 3624-9