Abstract

The thermodynamic properties of cubic group-III nitride ternary alloys In x Ga 1-x N, In x Al 1-x N, B x Ga 1-x N, and B x Al 1-x N have been studied through first principles total energy calculations combined with a cluster expansion method within the generalized quasi-chemical approach to disorder and composition effects. Focus will be given on the phase diagrams T versus x of the alloys. The interplay of miscibility gap and strain influence is analyzed. In particular for In x Ga 1-x N, the calculations carried out here are used to investigate the origin of the light emission process in the InGaN-based optoelectronic devices through a comparison with recent high resolution X-ray and Raman spectroscopy measurements.

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