A computational study of the thermodynamic and magnetic properties of Co-alloyed MnPt

Abstract Magnetic functional materials remain an area of research interest for applications in electronic devices. Among these materials, Mn 50 Pt 50 alloy has received a great deal of attention in practical potential applications such as spintronics due to its high-thermal and magnetic stability. It was reported previously that L1 0 Mn 50 Pt 50 alloy shows ferromagnetic ordering at room temperature. In this study, the effect of the partial substitution of Pt with Co was investigated using density functional theory (DFT) approach. The thermodynamic, magnetic and mechanical properties were determined to check the stability of Mn 50 Pt 50-x Co x alloys. The results showed that the L1 0 phase has the lowest heat of formation when the c/a ratio is 1.10 for 6.25 at.% Co. Overall magnetic moments improve with an increase in Co compositions when the c/a ratio is 1.10. The obtained results reveal that Mn 50 Pt 50-x Co x alloys exhibit attractive magnetic and mechanical properties for future magnets in spintronics applications. Graphical Abstract