Thermodynamic modeling of the Ni–Al–Ga–N system

Isothermal sections in the Ni–Al–Ga–N quaternary phase diagram were calculated to provide a greater understanding of interfacial reactions between Ni contacts and AlxGa1−xN. The calculations were performed employing a thermodynamic database of the Ni–Al–Ga–N system that was constructed by combining the six binary systems of the four component system. The model of the Ga–N binary system was created in this work. The models of the Ni–Ga and Ni–Al systems, both of which were taken from the literature, were modified to be compatible with one another. Thermodynamic data and phase boundaries for other binary systems were taken from the literature, as was information on portions of the Al–Ga–N and Ni–Al–Ga phase diagrams. The calculated sections reveal that during reaction between Ni and AlxGa1−xN, Ni is favored to react with the GaN component of the semiconductor alloy, leaving an Al-enriched AlxGa1−xN. These predictions are consistent with a recent analysis of the Ni, Al, and Ga elemental distributions across the interface between a Ni thin film and an Al0.47Ga0.53N epitaxial layer following annealing at 850 °C. Consideration of the thermodynamic driving forces suggests that this may be a general phenomenon existing in other metal–Al–Ga–N systems.