Structural, thermodynamic, magnetic, electronic, and mechanical properties of the hexagonal Mn3Ir: An ab initio study
The current study has employed ab initio density functional theory (DFT) simulations to investigate the thermodynamic, magnetic, electronic, and mechanical behaviour of the hexagonal ordered P63/mmc- Mn3Ir alloy at 0 K. This material is highly desirable for application in spintronic devices due to t...
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| Format: | Article |
| Language: | English |
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EDP Sciences
2024-01-01
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| Series: | MATEC Web of Conferences |
| Online Access: | https://www.matec-conferences.org/articles/matecconf/pdf/2024/18/matecconf_rapdasa2024_02003.pdf |
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| _version_ | 1850062724916051968 |
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| author | Maxhayi Sikho Lethole Ndanduleni Diale Ramogohlo Phasha Maje |
| author_facet | Maxhayi Sikho Lethole Ndanduleni Diale Ramogohlo Phasha Maje |
| author_sort | Maxhayi Sikho |
| collection | DOAJ |
| description | The current study has employed ab initio density functional theory (DFT) simulations to investigate the thermodynamic, magnetic, electronic, and mechanical behaviour of the hexagonal ordered P63/mmc- Mn3Ir alloy at 0 K. This material is highly desirable for application in spintronic devices due to the intrinsic spin Hall effect (SHE). Our results showed that Mn3Ir is thermodynamically and mechanically stable at 0 K. Moreover, it possesses zero magnetic moment which may lead to a high anomalous Hall effect, high permeability and low intrinsic coercivity. |
| format | Article |
| id | doaj-art-b2e8f3ed86a0419fac18bb1799e9e8ce |
| institution | DOAJ |
| issn | 2261-236X |
| language | English |
| publishDate | 2024-01-01 |
| publisher | EDP Sciences |
| record_format | Article |
| series | MATEC Web of Conferences |
| spelling | doaj-art-b2e8f3ed86a0419fac18bb1799e9e8ce2025-08-20T02:49:50ZengEDP SciencesMATEC Web of Conferences2261-236X2024-01-014060200310.1051/matecconf/202440602003matecconf_rapdasa2024_02003Structural, thermodynamic, magnetic, electronic, and mechanical properties of the hexagonal Mn3Ir: An ab initio studyMaxhayi Sikho0Lethole Ndanduleni1Diale Ramogohlo2Phasha Maje3Department of Physics, University of Fort HareDepartment of Physics, University of Fort HareAdvanced Materials Division, MINTEKAdvanced Materials Division, MINTEKThe current study has employed ab initio density functional theory (DFT) simulations to investigate the thermodynamic, magnetic, electronic, and mechanical behaviour of the hexagonal ordered P63/mmc- Mn3Ir alloy at 0 K. This material is highly desirable for application in spintronic devices due to the intrinsic spin Hall effect (SHE). Our results showed that Mn3Ir is thermodynamically and mechanically stable at 0 K. Moreover, it possesses zero magnetic moment which may lead to a high anomalous Hall effect, high permeability and low intrinsic coercivity.https://www.matec-conferences.org/articles/matecconf/pdf/2024/18/matecconf_rapdasa2024_02003.pdf |
| spellingShingle | Maxhayi Sikho Lethole Ndanduleni Diale Ramogohlo Phasha Maje Structural, thermodynamic, magnetic, electronic, and mechanical properties of the hexagonal Mn3Ir: An ab initio study MATEC Web of Conferences |
| title | Structural, thermodynamic, magnetic, electronic, and mechanical properties of the hexagonal Mn3Ir: An ab initio study |
| title_full | Structural, thermodynamic, magnetic, electronic, and mechanical properties of the hexagonal Mn3Ir: An ab initio study |
| title_fullStr | Structural, thermodynamic, magnetic, electronic, and mechanical properties of the hexagonal Mn3Ir: An ab initio study |
| title_full_unstemmed | Structural, thermodynamic, magnetic, electronic, and mechanical properties of the hexagonal Mn3Ir: An ab initio study |
| title_short | Structural, thermodynamic, magnetic, electronic, and mechanical properties of the hexagonal Mn3Ir: An ab initio study |
| title_sort | structural thermodynamic magnetic electronic and mechanical properties of the hexagonal mn3ir an ab initio study |
| url | https://www.matec-conferences.org/articles/matecconf/pdf/2024/18/matecconf_rapdasa2024_02003.pdf |
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