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- Title
First-Principles Calculations of Electronic and Magnetic Properties in Ferromagnetic MnSeS, MnSeTe, and MnSePo Ternary Systems.
- Authors
Adli, W.; Zaoui, A.; Ferhat, M.
- Abstract
In this paper, we present theoretical investigations of electronic and magnetic properties of the ordered cubic ferromagnetic MnSe S, MnSeTe, and MnSePo for x = 0.25, 0.50, and 0.75 using the full-potential linearized augmented plane wave method. Regarding structural properties, we found that the lattice parameters of MnSeS, MnSeTe, and MnSePo alloys follow Vegard's law. Results show that MnSeTe exhibits a half-metallic behaviour for all Mn concentrations, while MnSeS is half-metallic only for x = 0.5 and 0.75, and MnSePo is half-metallic only for x = 0.25. Moreover, a total magnetic moment of 5 µ is found for all alloys where the half-metallic phase is present. The total magnetic moment is found to be independent of composition and it is mainly due to the Mn atom.
- Subjects
MAGNETIC properties of manganese compounds; FERROMAGNETIC materials; AB-initio calculations; ELECTRONIC structure; TERNARY alloys
- Publication
Journal of Superconductivity & Novel Magnetism, 2016, Vol 29, Issue 3, p839
- ISSN
1557-1939
- Publication type
Article
- DOI
10.1007/s10948-015-3335-8