Authors | N. Bouteldja1, I. Ouadha2, M. Traiche1, S. Dahmane1, H. Rached2, M.H. Meliani1 |
Affiliations |
1Theoretical Physics and Materials Physics Laboratory, Hassiba Benbouali University, Chlef, Algeria 2Magnetic Materials Laboratory, Djillali Liabes University, Sidi Bel-Abbes, Algeria |
Е-mail | n.bouteldja@univ-chlef.dz |
Issue | Volume 17, Year 2025, Number 2 |
Dates | Received 22 November 2024; revised manuscript received 23 April 2025; published online 28 April 2025 |
Citation | N. Bouteldja, I. Ouadha, et al., J. Nano- Electron. Phys. 17 No 2, 02030 (2025) |
DOI | https://doi.org/10.21272/jnep.17(2).02030 |
PACS Number(s) | 85.75. – d, 75.50. – y, 71.15.Mb |
Keywords | Spintronic (7) , PBE+H, HHA, MnAuSn, Half-Metal, Magnetic material (3) . |
Annotation |
In this study, we use the full potential linearized augmented plane wave (FP-LAPW) method within the framework of density functional theory combined with ab-initio calculations with hybrid exchange-correlation functional to determine the structure and investigate the electronic and magnetic properties of zinc-blende MnAuSn alloy. The magnetic state is confirmed to be the most stable configuration using the Perdew-Burke-Ernzerhof (PBE) generalized gradient approximation (GGA). Our spin-polarized band structure simulations indicate that the material exhibits half-metallic behavior. The complex interplay affecting the magnetic and electronic properties is mainly attributed to the hybridization between the Mn-d, Au-f and Sn-p states, which leads to the observed spin polarization. MnAuSn shows traits of a half-metallic ferromagnet, as evidenced by a calculated total magnetic moment of 4 B. Grasping these properties is crucial for leveraging the unique features of these material in future technological applications, such as spintronic devices. |
List of References |