Ab-initio Study of Structural Properties of III- Nitrides.

We present first principles study of structural properties of Zinc-blende and Wurtzite phases of Aluminum Nitride, Gallium Nitride and Indium Nitride binary compounds. The study has been done using Full-Potential Linearized Augmented Plane Wave plus local orbitals method, within the framework of density functional theory. Results for lattice constant, bulk modulus, its pressure derivative and cohesive energy of these compounds are also compared with experimental results. © 2007 American Institute of Physics [ABSTRACT FROM AUTHOR]