First-Principles Study of Electronic and Structural Properties andExamining the Effect of Pressure on Energy Gap in InN Phases

The electronic and structural properties of both zinc-blende and wurtzite phases of inn were investigated by usingfull potential linearized augmented plane wave method within density functional theory. for the exchange correlationpotential, generalized gradient approximation (pbe-gga) and an alternative form of gga proposed by engel andvosko (ev-gga) have been used. results obtained for band structure of these compounds have been compared withexperimental results as well as other first principle computations. our results show a significant improvement over othertheoretical work and are closer to experimental data. the lattice constants, bulk modulus and its pressure derivative arecalculated for both phases. we have also investigated the structural transitions of inn and have calculated the transitionpressure between zinc-biende and rocksalt phases.