Structural and Optical Properties of GaAs 0.5 Sb 0.5 and In 0.5 Ga 0.5 As 0.5 Sb 0.5 : ab initio Calculations for Pure and Doped Materials
Year: 2012
Type: article
Abstract: We perform a first-principles study to evaluate the structural, electronic and optical properties of GaAs x Sb 1−x ternary and In y Ga 1−y As x Sb 1−x quaternary semiconductor alloys up to x = 0.5, y = 0.5. We employ the Perdew-Burke-Ernzerhof form of the generalized gradient approximation (GGA) within the framework of density functional theory (DFT) by using a simulation program. Calculations are carried out in different configurations. For these alloys, lattice parameters and optical band gap energy are calculated. The optical band gaps vary with increasing and decreasing As and In concentrations, respectively. The optical conductivity, absorption and the real part of the dielectric function ∊ 1 (ω) are discussed. Our results agree well with the theoretical and experimental data available in the literature.
Source: Chinese Physics Letters
Institutions: Soran University, Mustansiriyah University
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: bronze
Funder: Gazi Üniversitesi
Award: G8437346722
OpenAlex ID: W2038204330