The optoelectronic properties of the ternary BxIn1-xAs matched on GaAs substrate for laser diode application: Theoretical study with TB-mBJ approximation

The fundamental properties (structural and optoelectronic) of the zinc-blende-type BxIn1-xAs alloys have been theoretically studied employing the full-potential linear augmented plane-wave (FP-LAPW) method within density functional theory (DFT). These calculations are based on the generalized gradient approximation (GGA-WC) of Wu- Cohen to calculate the lattice parameters, bulk modulus, and pressure derivatives. Moreover, the Engel and Vosko GGA formalism (EV-GGA) and Tran-Blaha modified Becke-Johnson (TBmBJ) approaches were used to improve the bandgap energy values in different compose of Boron in BxIn1-xAs ternary alloys. We have also investigated the densities of states and the variation of the optical properties of the B-0.437 In(0.562)AS matched on GaAs substrate. (C) 2018 Elsevier GmbH. All rights reserved.