Unveiling the Multifaceted Nature of Sr2FeMoO6 Double Perovskites: Insights into Electronic and Optical Properties
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 Quant...
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| Format: | Article |
| Language: | English |
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EDP Sciences
2025-01-01
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| Series: | E3S Web of Conferences |
| Online Access: | https://www.e3s-conferences.org/articles/e3sconf/pdf/2025/01/e3sconf_icegc2024_00085.pdf |
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| author | Hajjami Manal Oublkacem Ali Benhouria Younes |
| author_facet | Hajjami Manal Oublkacem Ali Benhouria Younes |
| author_sort | Hajjami Manal |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-44cda66bfd0045af96575072162e6126 |
| institution | Kabale University |
| issn | 2267-1242 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | EDP Sciences |
| record_format | Article |
| series | E3S Web of Conferences |
| spelling | doaj-art-44cda66bfd0045af96575072162e61262025-02-05T10:47:15ZengEDP SciencesE3S Web of Conferences2267-12422025-01-016010008510.1051/e3sconf/202560100085e3sconf_icegc2024_00085Unveiling the Multifaceted Nature of Sr2FeMoO6 Double Perovskites: Insights into Electronic and Optical PropertiesHajjami Manal0Oublkacem Ali1Benhouria Younes2Laboratory of Materials Physics and Systems Modelling, (LP2MS), Physics Department, Faculty of Science, University Moulay IsmailLaboratory of Materials Physics and Systems Modelling, (LP2MS), Physics Department, Faculty of Science, University Moulay IsmailLaboratory of Materials Physics and Systems Modelling, (LP2MS), Physics Department, Faculty of Science, University Moulay IsmailIn 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.https://www.e3s-conferences.org/articles/e3sconf/pdf/2025/01/e3sconf_icegc2024_00085.pdf |
| spellingShingle | Hajjami Manal Oublkacem Ali Benhouria Younes Unveiling the Multifaceted Nature of Sr2FeMoO6 Double Perovskites: Insights into Electronic and Optical Properties E3S Web of Conferences |
| title | Unveiling the Multifaceted Nature of Sr2FeMoO6 Double Perovskites: Insights into Electronic and Optical Properties |
| title_full | Unveiling the Multifaceted Nature of Sr2FeMoO6 Double Perovskites: Insights into Electronic and Optical Properties |
| title_fullStr | Unveiling the Multifaceted Nature of Sr2FeMoO6 Double Perovskites: Insights into Electronic and Optical Properties |
| title_full_unstemmed | Unveiling the Multifaceted Nature of Sr2FeMoO6 Double Perovskites: Insights into Electronic and Optical Properties |
| title_short | Unveiling the Multifaceted Nature of Sr2FeMoO6 Double Perovskites: Insights into Electronic and Optical Properties |
| title_sort | unveiling the multifaceted nature of sr2femoo6 double perovskites insights into electronic and optical properties |
| url | https://www.e3s-conferences.org/articles/e3sconf/pdf/2025/01/e3sconf_icegc2024_00085.pdf |
| work_keys_str_mv | AT hajjamimanal unveilingthemultifacetednatureofsr2femoo6doubleperovskitesinsightsintoelectronicandopticalproperties AT oublkacemali unveilingthemultifacetednatureofsr2femoo6doubleperovskitesinsightsintoelectronicandopticalproperties AT benhouriayounes unveilingthemultifacetednatureofsr2femoo6doubleperovskitesinsightsintoelectronicandopticalproperties |