138
Views
0
CrossRef citations to date
0
Altmetric
Part B: Condensed Matter Physics

First-principles calculations to investigate electronic, magnetic and half-metallic ferromagnetic properties of full-Heusler Mn2OsSn

, , , , , , , , , , & show all
Pages 1090-1114 | Received 17 Jan 2023, Accepted 10 Feb 2023, Published online: 26 Feb 2023
 

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.

Disclosure statement

No potential conflict of interest was reported by the author(s).

Correction Statement

This article has been corrected with minor changes. These changes do not impact the academic content of the article.

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.