| Journal: | Revista mexicana de física |
| Database: | PERIÓDICA |
| System number: | 000453973 |
| ISSN: | 0035-001X |
| Authors: | Tab, S1 Boudali, A1 Berber, M2 Driss Khodja, M1 Lhaj ElHachemi, O3 Moujri, H4 |
| Institutions: | 1University of Saida, Laboratory of Physico-Chemical Studies, Saida. Argelia 2Centre Universitaire Nour Bachir El Bayadh, El Bayadh. Argelia 3Hassan II University of Casablanca, Faculty of Sciences, Casablanca. Marruecos |
| Year: | 2020 |
| Season: | Sep-Oct |
| Volumen: | 66 |
| Number: | 5 |
| Pages: | 627-631 |
| Country: | México |
| Language: | Inglés |
| Document type: | Artículo |
| Approach: | Analítico, teórico |
| English abstract | In this study, we have employed the first-principle methods based on density functional theory to investigate the structural, elastic, electronic, and magnetic properties of BBi0.75Mn0.125N0.125. The exchange and correlation potential are described by the generalized gradient approximation of Perdew, Burke, and Ernzerhof (GGA-PBEsol) + SOC coupled with TB-mBJ approaches. The studied structure shows that the compound BBi0.75Mn0.125N0.125 is stable in the ferromagnetic phase, the elastic property indicates that the structure is brittle and mechanically stable. The half-metallic description is predicted with the energy spin bandgap in the spin-up channel. The structure attributed to half-metallic ferromagnetism could be suitable for spintronics devices. To our knowledge, this is the first time that a study has been done on this alloy, and we would like it to serve as a reference for the next studies |
| Disciplines: | Física y astronomía |
| Keyword: | Física de materia condensada, Aleaciones, Teoría de densidad funcional |
| Keyword: | Propiedades magnéticas, Condensed matter physics, Alloys, Density functional theory (DFT), Magnetic properties |
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