Predictions of electronic, structural, and elastic properties of cubic InN

We present theoretical predictions of electronic, structural, and elastic properties of cubic indium nitride in the zine-blende structure (c-InN). Our ab initio, self-consistent calculations employed a local density approximation potential and the Bagayoko, Zhao, and Williams implementation of the linear combination of atomic orbitals. The theoretical equilibrium lattice constant is 5.017 Angstrom, the band gap is 0.65 eV, and the bulk modulus is 145 GPa. The band gap is 0.74 eV at an experimental lattice constant of 4.98 Angstrom. (C) 2004 American Institute of Physics.