ABSTRACT
In this chapter thermodynamic and electronic properties of the nitrides are discussed from a theoretical point of view. First, a brief overview of the first-principles electronic structure methods which have been used to study the nitrides is presented. They are applied to evaluate structural properties of the nitride compounds and their alloys in both the zincblende and wurtzite phases. Because of their importance in establishing the defect state
of the underlying material, the equilibrium pressure-temperature diagrams are calculated, and issues relating to non-equilibrium growth and usage of activated species to achieve metastable growth are discussed. The calculated band structures of the compounds and their alloys are shown, and their impact on the high field transport characteristics discussed.
