| Issue |
MATEC Web Conf.
Volume 370, 2022
2022 RAPDASA-RobMech-PRASA-CoSAAMI Conference - Digital Technology in Product Development - The 23rd Annual International RAPDASA Conference joined by RobMech, PRASA and CoSAAMI
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|---|---|---|
| Article Number | 02006 | |
| Number of page(s) | 9 | |
| Section | Computational & Data-driven Modelling Seminar | |
| DOI | https://doi.org/10.1051/matecconf/202237002006 | |
| Published online | 01 December 2022 | |
Thermodynamic and magnetic properties of Pt50Mn50-xMx (M= Cr, Fe) alloys: A first-principles study
1 Advanced Materials Division, MINTEK, South Africa
2 Materials Modelling Centre, University of Limpopo, South Africa
* Corresponding author: ram@mintek.co.za
More recently, the L10 MnPt alloy has received massive attention in data storage applications such as spintronics due to its high ferromagnetic stability and very high Néel temperature. It was found that L10 MnPt alloy showed ferromagnetic behaviour at room temperature. In this study, the effect of introducing antiferromagnetic (Cr) and ferromagnetic (Fe) elements on MnPt alloy is being investigated using density functional theory (DFT). The thermodynamic stability was determined from the heats of formation to check the formability of Pt50Mn50-xMx (M= Cr, Fe; x=6.25, 12.5, 18.75, 25) alloys. These Pt50Mn50-xMx alloys were found to be thermodynamically stable although with lower heats of formation. Overall magnetic moments decrease slightly with an increase in Cr and Fe compositions, only at 6.25 at. % Cr the ferromagnetic state is improved when the c/a ratio is 1.10. The current work revealed that the DFT-based first-principle approach can be used to design new possible compositions for the development of PGM-bearing magnetic materials.
© The Authors, published by EDP Sciences, 2022
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