Keywords : LCAO
European Journal of Molecular & Clinical Medicine,
2020, Volume 7, Issue 7, Pages 3475-3480
The present work focuses on the investigation of structural and the electronic properties of InN and BN alloys using the first principles within linear combination of atomics orbital method. This work has been with the use of CRYSTAL code. Some important parameters like bulk modulus, lattice constant and band gap have been calculated.