Belkharroubi, Fadila and Bourdim, Mokhtar and Maizia, Ahmed and Belmiloud, Nawal and Khelfaoui, Friha and Smahi, Zakaria and Boudia, Keltouma and Benchehima, Miloud and Azzi, Saliha and Ameri, Mohamed and Al-Douri, Yarub and Abu Odeh, Ali (2023) First-principles calculations to investigate electronic, magnetic and half-metallic ferromagnetic properties of full-Heusler Mn2OsSn. Philosophical Magazine, 103 (11). pp. 1090-1114. ISSN 1478-6435, DOI https://doi.org/10.1080/14786435.2023.2180682.
Full text not available from this repository.Abstract
The structural, electrical, magnetic, and elastic characteristics of the Mn2OsSn full-Heusler compound have all been studied using the full potential linearised augmented plane (FP-LAPW) method. The study's exchange and correlation potentials are calculated using the generalised gradient approach (GGA) developed by Burke, Perdew, and Ernzerhof; the GGA with the Tran-Blaha-modified Becke-Johnson approximations; and the GGA with the correlated Hubbard parameter (GGA +U). Our calculations show that the formation energy of the compound is negative for the two-type structure, which means the crystal may persist indefinitely. Our chemical has a convex hull distance at 0 K for cubic regular and inverse-type structures, indicating that it will likely be synthesised via equilibrium processing. The electronic band structures, densities of states, and 100 spin-polarisation at the Fermi level in the typical cubic AlCu2Mn-type structure show Mn2OsSn in its complete Heusler ferromagnetic state has a half-metallic feature with an indirect band gap in the minority spin. Alternatively, in the CuHg2Ti-type ferromagnetic state, with its inverse cubic structure, this material exhibits metallic ferromagnetic behaviour with a polarisation of 96,325. The half metallicity of the AlCu2Mn-type combination is preserved at 1 GPa of hydrostatic pressure. Thus, Mn2OsSn, with the appropriate correction option for the Hubbard-Coulomb parameter U, will be a promising contender for spintronic applications.
| Item Type: | Article |
|---|---|
| Funders: | UNSPECIFIED |
| Uncontrolled Keywords: | Full-Heusler; structural stability; half-metallic; magnetic properties; DFT |
| Subjects: | Q Science > QC Physics |
| Divisions: | Deputy Vice Chancellor (Research & Innovation) Office > Nanotechnology & Catalysis Research Centre |
| Depositing User: | Ms Zaharah Ramly |
| Date Deposited: | 17 May 2024 00:03 |
| Last Modified: | 17 May 2024 00:03 |
| URI: | http://eprints.um.edu.my/id/eprint/38573 |
Actions (login required)
 |
View Item |
