Ab initio study of structural, electronic and magnetic properties of XSn_3 (X = Gd, Cm) and Gd_xCm_{1-x}Sn_3 compounds
| Autor: | M. Adnane, L. Djoudi, M. Merabet, M. Boucharef, F. Dahmane, S. Benalia, M. Mokhtari, D. Rached |
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| Jazyk: | angličtina |
| Rok vydání: | 2020 |
| Předmět: | |
| Zdroj: | Condensed Matter Physics, Vol 23, Iss 3, p 33705 (2020) |
| Druh dokumentu: | article |
| ISSN: | 1607-324X 2224-9079 |
| DOI: | 10.5488/CMP.23.33705 |
| Popis: | In this paper, the structural, electronic and magnetic properties of the GdSn_3, CmSn_3 and Gd_xCm_{1-x}Sn_3 compounds (x = 0.25, 0.5 and 0.75) were studied using the full-potential linearized augmented plane wave method, within the generalized gradient approximation +U. The ground-state properties are determined for the bulk materials GdSn_3, CmSn_3 and Gd_xCm_{1-x}Sn_3 crystallized in AuCu_3-type structure. The calculated structural, electronic and magnetic properties of GdSn_3 compound are in good agreement with the existing experimental and theoretical data. It is found that the most stable magnetic configurations of both compounds CmSn_3 and GdSn_3 are anti-ferromagnetic type A (AFM-A) and have a metallic behavior. The magnetic moment found decreases with increasing the Cm composition in Gd_xCm_{1-x}Sn_3 compounds. The results show that the GdSn_3, CmSn_3 and Gd_xCm_{1-x}Sn_3 compounds share some properties, and may well be useful for spintronic applications. |
| Databáze: | Directory of Open Access Journals |
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