An investigation of bulk modulus and cohesive energy of GaP in the local density approximation

An investigation of bulk modulusand cohesive energy of Gallium Phosphide (GaP), an important cubic III-V semiconductor, with zinc blende structure has been done using pseudopotential Density Functional Theory (DFT). Lattice constant a0, bulk modulus B0 and cohesive energy Ecoh were calculated. The bulk modulus calculated for GaP showed 18% increase compared to GaAs. The observed result of cohesive energy was found to be in moderate accuracy with other semiconductor of same kind. The local density approximation (LDA) approach with norm-conserving Troullier- Martins type pseudo potentials were used for the crystal potentials.