n-Type narrow band gap A3InAs3 (A = Sr and Eu) Zintl phase semiconductors for optoelectronic and thermoelectric applications
Optoelectronic and thermoelectric properties of A3InAs3 (A = Sr and Eu) Zintl compounds are investigated using FP-LAPW method with LDA, GGA and mBJ potentials for Sr3InAs3 in addition with Hubbard (U) for Eu3InAs3 based on DFT. Electronic properties reveal that both the compounds are direct bandgap...
| Main Authors: | , , , , , , , , , |
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| Format: | Article |
| Language: | English |
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Taylor & Francis Group
2022-12-01
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| Series: | Journal of Taibah University for Science |
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| Online Access: | https://www.tandfonline.com/doi/10.1080/16583655.2022.2099200 |
| _version_ | 1811225838053490688 |
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| author | Zainab Mufarreh Elqahtani Salma Aman Shahid Mehmood Zahid Ali Abid Hussanan Naseeb Ahmad Sultan Alomairy M. S. Al-Buriahi Z. A. Alrowaili Hafiz Muhammad Tahir Farid |
| author_facet | Zainab Mufarreh Elqahtani Salma Aman Shahid Mehmood Zahid Ali Abid Hussanan Naseeb Ahmad Sultan Alomairy M. S. Al-Buriahi Z. A. Alrowaili Hafiz Muhammad Tahir Farid |
| author_sort | Zainab Mufarreh Elqahtani |
| collection | DOAJ |
| description | Optoelectronic and thermoelectric properties of A3InAs3 (A = Sr and Eu) Zintl compounds are investigated using FP-LAPW method with LDA, GGA and mBJ potentials for Sr3InAs3 in addition with Hubbard (U) for Eu3InAs3 based on DFT. Electronic properties reveal that both the compounds are direct bandgap semiconductors and their semiconducting nature is also supported by electrical resistivity (conductivity). The direct bandgap value is ranging from 0.50 to 0.74 and is decreasing with the replacement of Sr by Eu. The results divulge that both the compounds are optically active in the infrared region and optically anisotropic in nature and can be used as a shield for ultraviolet radiation and potential candidate for optoelectronic devices. Negative value of -383 and -411 µV/K Seebeck coefficients suggest that electrons are the majority charge carriers. Low thermal conductivity, high Seebeck coefficient and high power factor indicating that A3InAs3 (A = Sr and Eu) are the potential matrix for thermoelectric application. |
| first_indexed | 2024-04-12T09:13:55Z |
| format | Article |
| id | doaj.art-90953a4155c249b19065c91a0f7883ab |
| institution | Directory Open Access Journal |
| issn | 1658-3655 |
| language | English |
| last_indexed | 2024-04-12T09:13:55Z |
| publishDate | 2022-12-01 |
| publisher | Taylor & Francis Group |
| record_format | Article |
| series | Journal of Taibah University for Science |
| spelling | doaj.art-90953a4155c249b19065c91a0f7883ab2022-12-22T03:38:53ZengTaylor & Francis GroupJournal of Taibah University for Science1658-36552022-12-0116166066910.1080/16583655.2022.2099200n-Type narrow band gap A3InAs3 (A = Sr and Eu) Zintl phase semiconductors for optoelectronic and thermoelectric applicationsZainab Mufarreh Elqahtani0Salma Aman1Shahid Mehmood2Zahid Ali3Abid Hussanan4Naseeb Ahmad5Sultan Alomairy6M. S. Al-Buriahi7Z. A. Alrowaili8Hafiz Muhammad Tahir Farid9Department of Physics, College of science, Princess Nourah bint Abdulrahman University, Riyadh, Saudi ArabiaDepartment of Physics, Khwaja Fareed University of Engineering and Information Technology, Rahim Yar Khan, PakistanDepartment of Physics, Center for Computational Materials Science, University of Malakand, Chakdara, PakistanDepartment of Physics, Center for Computational Materials Science, University of Malakand, Chakdara, PakistanDepartment of Mathematics, Division of Science and Technology, University of Education, Lahore, PakistanDepartment of Physics, Khwaja Fareed University of Engineering and Information Technology, Rahim Yar Khan, PakistanDepartment of Physics, College of Science, Taif University, Taif, Saudi ArabiaDepartment of Physics, Sakarya University, Sakarya, TurkeyDepartment of Physics, College of Science, Jouf University, Sakaka, Saudi ArabiaDepartment of Physics, Government Graduate College, Taunsa Sharif, PakistanOptoelectronic and thermoelectric properties of A3InAs3 (A = Sr and Eu) Zintl compounds are investigated using FP-LAPW method with LDA, GGA and mBJ potentials for Sr3InAs3 in addition with Hubbard (U) for Eu3InAs3 based on DFT. Electronic properties reveal that both the compounds are direct bandgap semiconductors and their semiconducting nature is also supported by electrical resistivity (conductivity). The direct bandgap value is ranging from 0.50 to 0.74 and is decreasing with the replacement of Sr by Eu. The results divulge that both the compounds are optically active in the infrared region and optically anisotropic in nature and can be used as a shield for ultraviolet radiation and potential candidate for optoelectronic devices. Negative value of -383 and -411 µV/K Seebeck coefficients suggest that electrons are the majority charge carriers. Low thermal conductivity, high Seebeck coefficient and high power factor indicating that A3InAs3 (A = Sr and Eu) are the potential matrix for thermoelectric application.https://www.tandfonline.com/doi/10.1080/16583655.2022.2099200Zintl phase compoundsfirst principal calculationselectronic band profilesoptical propertiesthermoelectric properties |
| spellingShingle | Zainab Mufarreh Elqahtani Salma Aman Shahid Mehmood Zahid Ali Abid Hussanan Naseeb Ahmad Sultan Alomairy M. S. Al-Buriahi Z. A. Alrowaili Hafiz Muhammad Tahir Farid n-Type narrow band gap A3InAs3 (A = Sr and Eu) Zintl phase semiconductors for optoelectronic and thermoelectric applications Journal of Taibah University for Science Zintl phase compounds first principal calculations electronic band profiles optical properties thermoelectric properties |
| title | n-Type narrow band gap A3InAs3 (A = Sr and Eu) Zintl phase semiconductors for optoelectronic and thermoelectric applications |
| title_full | n-Type narrow band gap A3InAs3 (A = Sr and Eu) Zintl phase semiconductors for optoelectronic and thermoelectric applications |
| title_fullStr | n-Type narrow band gap A3InAs3 (A = Sr and Eu) Zintl phase semiconductors for optoelectronic and thermoelectric applications |
| title_full_unstemmed | n-Type narrow band gap A3InAs3 (A = Sr and Eu) Zintl phase semiconductors for optoelectronic and thermoelectric applications |
| title_short | n-Type narrow band gap A3InAs3 (A = Sr and Eu) Zintl phase semiconductors for optoelectronic and thermoelectric applications |
| title_sort | n type narrow band gap a3inas3 a sr and eu zintl phase semiconductors for optoelectronic and thermoelectric applications |
| topic | Zintl phase compounds first principal calculations electronic band profiles optical properties thermoelectric properties |
| url | https://www.tandfonline.com/doi/10.1080/16583655.2022.2099200 |
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