First-principles calculations of the thermodynamic and structural properties of strained InxGa1-xN and AlxGa1-xN alloys

We present first-principles calculations of the thermodynamic and structural properties of cubic InxGa1-xN and AlxGa1-xN alloys. They an based on the generalized quasichemical approach to disorder and composition effects and a pseudopotential-plane-wave approximation for the total energy. The cluster treatment is generalized to study the influence of biaxial strain. We find a remarkable suppression of phase separation in InxGa1-xN.