Open Access<p class="IJOPCMTitle">A study on structural and electronic properties of GaAs<sub>1-x</sub>N<sub>x </sub>and GaAs<sub>1-x</sub>Bi<sub>x</sub> alloys</p>
Author(s) -
Metin Aslan,
Battal G. Yalçın
Publication year - 2016
Publication title -
international journal of physical research
Language(s) - English
Resource type - Journals
ISSN - 2307-9010
DOI - 10.14419/ijpr.v4i1.5775
Subject(s) - lattice constant , band gap , ternary operation , materials science , density functional theory , condensed matter physics , bowing , lattice (music) , gallium arsenide , bismuth , alloy , chemistry , physics , optoelectronics , computational chemistry , diffraction , quantum mechanics , metallurgy , philosophy , theology , computer science , acoustics , programming language
We have performed first principles method to investigate structural and electronic properties of GaAs 1-x N x and GaAs 1-x Bi x ternary semiconductor alloy using Density Functional Theory and pseudo potential method within the Generalized Gradient Approximations and Local Density Approximation. The Zinc-Blende phase is found stable for GaAsN and GaAsBi alloys. In this study we investigate the both bowing parameters changing with Bismuth concentration in GaAsBi and Nitrogen concentration in GaAsN alloys. By using the bowing parameter of GaAsBi and GaAsN alloys we obtained the bandgap energies for all x concentrations (0 < x < 1) and lattice constant of both alloys which are important for wide range device application. For studied materials, lattice parameters and band gap energies are compared with available theoretical and experimental works.