NDLI: First-Principles Calculations of Structural, Electronic and Optical Properties of Ternary Semiconductor Alloys ZAs$_{ x }$Sb$

Content Provider	SpringerLink
Author	Bounab, S. Bentabet, A. Bouhadda, Y. Belgoumri, Gh. Fenineche, N.
Copyright Year	2017
Abstract	We have investigated the structural and electronic properties of the BAs $_{ x }$ Sb $_{ 1−x }$, AlAs $_{ x }$ Sb $_{ 1−x }$, GaAs $_{ x }$ Sb $_{ 1−x }$ and InAs $_{ x }$ Sb $_{ 1−x }$ semiconductor alloys using first-principles calculations under the virtual crystal approximation within both the density functional perturbation theory and the pseudopotential approach. In addition the optical properties have been calculated by using empirical methods. The ground state properties such as lattice constants, both bulk modulus and derivative of bulk modulus, energy gap, refractive index and optical dielectric constant have been calculated and discussed. The obtained results are in reasonable agreement with numerous experimental and theoretical data. The compositional dependence of the lattice constant, bulk modulus, energy gap and effective mass of electrons for ternary alloys show deviations from Vegard’s law where our results are in agreement with the available data in the literature.
Starting Page	4805
Ending Page	4814
Page Count	10
File Format	PDF
ISSN	03615235
Journal	Journal of Electronic Materials
Volume Number	46
Issue Number	8
e-ISSN	1543186X
Language	English
Publisher	Springer US
Publisher Date	2017-03-16
Publisher Place	New York
Access Restriction	Subscribed
Subject Keyword	Semiconductor alloys ZAs$_{ x }$Sb$_{1−x }$ ab initio calculation the density functional theory Optical and Electronic Materials Characterization and Evaluation of Materials Electronics and Microelectronics, Instrumentation Solid State Physics
Content Type	Text
Resource Type	Article
Subject	Condensed Matter Physics Electronic, Optical and Magnetic Materials Materials Chemistry Electrical and Electronic Engineering

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