Issue |
E3S Web Conf.
Volume 601, 2025
The 3rd International Conference on Energy and Green Computing (ICEGC’2024)
|
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Article Number | 00085 | |
Number of page(s) | 7 | |
DOI | https://doi.org/10.1051/e3sconf/202560100085 | |
Published online | 16 January 2025 |
Unveiling the Multifaceted Nature of Sr2FeMoO6 Double Perovskites: Insights into Electronic and Optical Properties
1 Laboratory of Materials Physics and Systems Modelling, (LP2MS), Physics Department, Faculty of Science, University Moulay Ismail, Meknes, Morocco
2 National school of Agriculture of Meknes, ENAM, Meknes, Morocco
* e-mail: m.hajjami@edu.umi.ac.ma
In this study, an investigation of the intricate electronic and optical properties of the double perovskite compound Sr2FeMoO6 is conducted. In order to gain insight into its electronic structure, calculations are performed using the density functional theory (DFT) approach integrated into the Quantum Espresso software package. The results of these calculations reveal that the compound exhibits distinct behaviour as a direct bandgap semiconductor for both spin directions. An in-depth analysis of the dielectric function provides crucial insights into the optical absorption characteristics. At zero energy, the anticipated static dielectric constant for Sr2FeMoO6 is 6:16. The imaginary component, representing the energy absorbed by the compound as it is passed through by light, has a calculated maximum value of ε2(ω) at 1:81eV. These findings enhance our comprehension of Sr2FeMoO6 and facilitate the exploration of novel applications in advanced optoelectronic and thermoelectric devices. This research significantly contributes to the broader field of materials science and solid-state physics, providing valuable insights for future research endeavours.
© The Authors, published by EDP Sciences, 2025
This is an Open Access article distributed under the terms of the Creative Commons Attribution License 4.0, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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