Electronic and magnetic properties of ZnSeS solid solution modified by Mn impurity, Zn vacancy and pressure
The spin-polarized electronic energy spectra of the ZnSeS solid solution were obtained based on calculations for the supercell, which contains 64 atoms. At the first stage, the properties of the material based on the Mn:ZnSeS supercell, in which Mn replaces the Zn atom, were calculated. The calculat...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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Vasyl Stefanyk Precarpathian National University
2024-02-01
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| Series: | Фізика і хімія твердого тіла |
| Subjects: | |
| Online Access: | https://journals.pnu.edu.ua/index.php/pcss/article/view/7294 |
| _version_ | 1797234410424107008 |
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| author | S.V. Syrotyuk A.Y. Nakonechnyi Yu.V. Klysko H.I. Vlakh-Vyhrynovska Z.E. Veres |
| author_facet | S.V. Syrotyuk A.Y. Nakonechnyi Yu.V. Klysko H.I. Vlakh-Vyhrynovska Z.E. Veres |
| author_sort | S.V. Syrotyuk |
| collection | DOAJ |
| description | The spin-polarized electronic energy spectra of the ZnSeS solid solution were obtained based on calculations for the supercell, which contains 64 atoms. At the first stage, the properties of the material based on the Mn:ZnSeS supercell, in which Mn replaces the Zn atom, were calculated. The calculation results reveal that the material is a semiconductor for both spin orientations. The second stage is based on the simultaneous presence of a Mn impurity and a cation vacancy. Comparing the results of the first two stages allows us to reveal significant changes in the electronic energy structure caused by the cation vacancy. The material with a vacancy exhibits metallic properties for both spin orientations. The third stage is implemented for the supercell without a vacancy, but under the action of hydrostatic pressure. The material exhibits semiconducting properties for both values of the spin moment. At the fourth stage, the Mn:ZnSeS supercell with a vacancy and under pressure is considered. In the presence of pressure and a VZn vacancy, the ZnMnSeS material exhibits metallic properties for both spin orientations. A material with a vacancy and under pressure can be characterized as a magnetic metal. |
| first_indexed | 2024-04-24T16:31:37Z |
| format | Article |
| id | doaj.art-784a20a586314529a938ba5c741b15f6 |
| institution | Directory Open Access Journal |
| issn | 1729-4428 2309-8589 |
| language | English |
| last_indexed | 2024-04-24T16:31:37Z |
| publishDate | 2024-02-01 |
| publisher | Vasyl Stefanyk Precarpathian National University |
| record_format | Article |
| series | Фізика і хімія твердого тіла |
| spelling | doaj.art-784a20a586314529a938ba5c741b15f62024-03-29T22:27:41ZengVasyl Stefanyk Precarpathian National UniversityФізика і хімія твердого тіла1729-44282309-85892024-02-01251657210.15330/pcss.25.1.65-726344Electronic and magnetic properties of ZnSeS solid solution modified by Mn impurity, Zn vacancy and pressureS.V. SyrotyukA.Y. NakonechnyiYu.V. KlyskoH.I. Vlakh-VyhrynovskaZ.E. VeresThe spin-polarized electronic energy spectra of the ZnSeS solid solution were obtained based on calculations for the supercell, which contains 64 atoms. At the first stage, the properties of the material based on the Mn:ZnSeS supercell, in which Mn replaces the Zn atom, were calculated. The calculation results reveal that the material is a semiconductor for both spin orientations. The second stage is based on the simultaneous presence of a Mn impurity and a cation vacancy. Comparing the results of the first two stages allows us to reveal significant changes in the electronic energy structure caused by the cation vacancy. The material with a vacancy exhibits metallic properties for both spin orientations. The third stage is implemented for the supercell without a vacancy, but under the action of hydrostatic pressure. The material exhibits semiconducting properties for both values of the spin moment. At the fourth stage, the Mn:ZnSeS supercell with a vacancy and under pressure is considered. In the presence of pressure and a VZn vacancy, the ZnMnSeS material exhibits metallic properties for both spin orientations. A material with a vacancy and under pressure can be characterized as a magnetic metal.https://journals.pnu.edu.ua/index.php/pcss/article/view/7294aiibvi solid solutionsstrongly correlated electronsenergy spectrumdensity of electronic states |
| spellingShingle | S.V. Syrotyuk A.Y. Nakonechnyi Yu.V. Klysko H.I. Vlakh-Vyhrynovska Z.E. Veres Electronic and magnetic properties of ZnSeS solid solution modified by Mn impurity, Zn vacancy and pressure Фізика і хімія твердого тіла aiibvi solid solutions strongly correlated electrons energy spectrum density of electronic states |
| title | Electronic and magnetic properties of ZnSeS solid solution modified by Mn impurity, Zn vacancy and pressure |
| title_full | Electronic and magnetic properties of ZnSeS solid solution modified by Mn impurity, Zn vacancy and pressure |
| title_fullStr | Electronic and magnetic properties of ZnSeS solid solution modified by Mn impurity, Zn vacancy and pressure |
| title_full_unstemmed | Electronic and magnetic properties of ZnSeS solid solution modified by Mn impurity, Zn vacancy and pressure |
| title_short | Electronic and magnetic properties of ZnSeS solid solution modified by Mn impurity, Zn vacancy and pressure |
| title_sort | electronic and magnetic properties of znses solid solution modified by mn impurity zn vacancy and pressure |
| topic | aiibvi solid solutions strongly correlated electrons energy spectrum density of electronic states |
| url | https://journals.pnu.edu.ua/index.php/pcss/article/view/7294 |
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