Thermodynamic properties of ni nitrides and phase stability in the Ni-N system

The thermodynamics of the Ni-N system is poorly known from experiments, and there is a need of information on the stability of the various nitride phases and the Ni-N phase diagram. This kind of information has been obtained by us, by combining the few measurements available with predictions, based on recently reported regularities in bonding properties and vibrational entropy of 3d transition metal compounds. A calculated Ni-N phase diagram is presented. A certain range of homogeneity for the hexagonal nitride phase is obtained, which is comparable to that of other 3d transition metal-nitrogen systems. The question of the possible existence of a stable Ni₄N phase is examined. According to our results, Ni₄N is metastable in the Ni-N system.