Online ISSN: 2515-8260

Keywords : Density functional theory

Structural And Electronic Properties Of III-Nitride Semiconductor Alloys: A First Principle Study

Pavas .; Agnibha Das Majumdar; Gopal Rizal; Neha Munjal

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.