Abstract

The optoelectronic properties of the ternary Cd0.25Zn0.75Se alloy are reported under the influence of a high pressure ranging from 0 to 25 GPa, within a modified Becke–Jhonson potential using density functional theory. This alloy has a cubic symmetry, is mechanically stable, and its bulk modulus rises with pressure. It is observed to be a direct bandgap material with a bandgap energy that increases from 2.37 to 3.11 eV with rise in pressure. Pressure changes the optical and electronic properties, causing the absorption coefficient to rise and absorb visible green-to-violet light. The static dielectric constant, along with the static index of refraction, both increase under the influence of pressure. Optical constants, including dielectric constant, optical conductivity, refractive index, extinction coefficient, and reflection, are also investigated and discussed. This DFT forecast explores important research directions for the usage of the CdZnSe semiconductor alloys in the manufacturing of space photovoltaic and optoelectronic devices operating at different pressures.

Details

Title
Ab-initio study of pressure influenced elastic, mechanical and optoelectronic properties of Cd0.25Zn0.75Se alloy for space photovoltaics
Author
Iqbal, Muhammad Aamir 1 ; Malik, Maria 2 ; Shahid, Wajeehah 3 ; Irfan, Shaheen 3 ; Alguno, Arnold C. 4 ; Morsy, Kareem 5 ; Capangpangan, Rey Y. 6 ; Pham, Phuong V. 7 ; Choi, Jeong Ryeol 8 

 University of the Punjab, Centre of Excellence in Solid State Physics, Lahore, Pakistan (GRID:grid.11173.35) (ISNI:0000 0001 0670 519X); Zhejiang University, School of Materials Science and Engineering, Hangzhou, China (GRID:grid.13402.34) (ISNI:0000 0004 1759 700X) 
 University of the Punjab, Centre of Excellence in Solid State Physics, Lahore, Pakistan (GRID:grid.11173.35) (ISNI:0000 0001 0670 519X) 
 The University of Lahore, Department of Physics, Lahore, Pakistan (GRID:grid.440564.7) (ISNI:0000 0001 0415 4232) 
 Mindanao State University - Iligan Institute of Technology, Department of Physics, Premier Research Institute of Science and Mathematics (PRISM), Iligan City, Philippines (GRID:grid.449125.f) (ISNI:0000 0001 0170 9976) 
 King Khalid University, Biology Department, College of Science, Abha, Saudi Arabia (GRID:grid.412144.6) (ISNI:0000 0004 1790 7100); Cairo University, Zoology Department, Faculty of Science, Cairo, Egypt (GRID:grid.7776.1) (ISNI:0000 0004 0639 9286) 
 Mindanao State University at Naawan, Department of Physical Sciences and Mathematics, College of Science and Environment, Naawan, Philippines (GRID:grid.449128.2) 
 Zhejiang University, Hangzhou Global Scientific and Technological Innovation Center, School of Micro-Nano Electronics, Hangzhou, China (GRID:grid.13402.34) (ISNI:0000 0004 1759 700X) 
 Kyonggi University, Department of Nanoengineering, Suwon, South Korea (GRID:grid.411203.5) (ISNI:0000 0001 0691 2332) 
Publication year
2022
Publication date
2022
Publisher
Nature Publishing Group
e-ISSN
20452322
Source type
Scholarly Journal
Language of publication
English
ProQuest document ID
2695804909
Copyright
© The Author(s) 2022. This work is published under http://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.