journal article·2021-07Open access

Effect of Fe on physical characteristics of CdS: DFT investigations

Department of Physics, College of Sciences, Princess Nourah bint Abdulrahman University (PNU), Riyadh 11671, Saudi Arabia, S. A. Aldaghfag, M. Yaseen, Spin-Optoelectronics and Ferro-Thermoelectric (SOFT) Materials and Devices Laboratory,Department of Physics, University of Agriculture, Faisalabad 38040, Pakistan, H. Ambreen, Spin-Optoelectronics and Ferro-Thermoelectric (SOFT) Materials and Devices Laboratory,Department of Physics, University of Agriculture, Faisalabad 38040, Pakistan, M. K. Butt, Spin-Optoelectronics and Ferro-Thermoelectric (SOFT) Materials and Devices Laboratory,Department of Physics, University of Agriculture, Faisalabad 38040, Pakistan, M. Rehan, Spin-Optoelectronics and Ferro-Thermoelectric (SOFT) Materials and Devices Laboratory,Department of Physics, University of Agriculture, Faisalabad 38040, Pakistan, A. Dahshan, Department of Physics - Faculty of Science - King Khalid University, P.O. Box 9004, Abha, Saudi Arabia, Department of Physics, Faculty of Science, Port Said University, Port Said, Egypt

Chalcogenide Letters· Volume 18· Issue 7

Abstract

In this work, the electronic, magnetic and optical features of the diluted magnetic semiconductors (DMS) Cd1-xFexS (x= 6.25%, 12.5%, 25%) are determined by density functional theory (DFT). The analysis of electronic BS and magnetic moment of Cd1-xFexS show a half metallic ferromagnetic (HMF) nature with direct energy gap (Eg).The Egof CdS is elevated by incrementing the doping concentration of iron atoms. Moreover, the replacement of Cd with Fe turns CdS into an-type semiconductor. The effect of Fe concentration on the optical parameters such as absorption coefficient, refractive index, dielectric function, optical conductivity, and reflectivity is also investigated. Results revealed that Cd1-xFexS is a suitable compound for spintronicsand optoelectronics devices.
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Research context

OpenAlex topics: Chalcogenide Semiconductor Thin Films · Quantum Dots Synthesis And Properties · Semiconductor materials and interfaces

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