Martensitic transformation in Heusler alloy Mn2PtIn: Theoretical and experimental investigation

• Martensitic transformation has been reported in Heusler alloy Mn2PtIn.
• First-principles calculations can be a possible way to predict new FSMAs.
• These findings can enlarge our scope of discovering new FSMAs in Heusler alloys.

The martensitic transformation in Heusler alloy Mn2PtIn has been investigated by first-principles calculations and experimental studies. Theoretical calculation reveals that, in Mn2PtIn, a transition from cubic structure to tetragonal one is favorable in energy. This has been confirmed by following experimental studies. At room temperature, Mn2PtIn crystallizes in a tetragonal structure of the space group I-4m2. And a transition from tetragonal to cubic Heusler phase occurs at 638 K. Mn2PtIn is a ferrimagnet in both austenitic and martensitic phases. Its magnetic properties are mainly determined by the antiparallel aligned Mn spin moments. These findings can greatly enlarge our scope of discovering new FSMAs in Heusler alloys containing 4d and 5d elements.