Issue 35, 2022

Unveiling concentration effects on the structural and optoelectronic characteristics of Zn1−xCdxS (x = 0, 0.25, 0.50, 0.75, 1) cubic semiconductors: a theoretical study

Abstract

The structural and optoelectronic characteristics of Zn1−xCdxS (x = 0, 0.25, 0.50, 0.75, 1) semiconductors are reported using density functional theory within GGA, EV-GGA, and mBJ functionals. These semiconductors are observed in cubic symmetry at all Cd-concentrations and the lattice constant increases linearly with Cd-concentration while the bulk modulus shows a reverse behavior. These materials are direct bandgap semiconductors at all Cd-concentrations and their bandgap energy decreases from 3.67 eV to 2.59 eV. The isotropic optical properties of these direct bandgap semiconductors vary with Cd concentration as well, with absorption coefficients decreasing and absorbed near-UV light converting to visible blue light. Optical properties like refractive index, dielectric constant, conductivity, extinction coefficient, and reflectance are also displayed and discussed. These results provide useful theoretical understanding for the application of CdZnS semiconductors in photonic, photovoltaic, and optoelectronic devices.

Graphical abstract: Unveiling concentration effects on the structural and optoelectronic characteristics of Zn1−xCdxS (x = 0, 0.25, 0.50, 0.75, 1) cubic semiconductors: a theoretical study

Associated articles

Article information

Article type
Paper
Submitted
22 Jun 2022
Accepted
21 Jul 2022
First published
19 Aug 2022
This article is Open Access
Creative Commons BY-NC license

RSC Adv., 2022,12, 22783-22791

Unveiling concentration effects on the structural and optoelectronic characteristics of Zn1−xCdxS (x = 0, 0.25, 0.50, 0.75, 1) cubic semiconductors: a theoretical study

M. A. Iqbal, M. Malik, A. Zahid, Md. R. Islam, I. D. Arellano-Ramírez and M. Al-Bahrani, RSC Adv., 2022, 12, 22783 DOI: 10.1039/D2RA03850A

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