The First Principle Studies on the Ferromagnetic Shape Memory Effect of Ni2YIn(Y=Fe, Co) Heusler Alloys

The atom occupied sites, structures, tetragonal transformation and magnetic properties are studied by the first principles calculations. From least energy principle, the calculated equilibrium lattice parameter is 6.03 Å and 6.00 Å for Cu2MnAl type Ni2YIn (Y=Fe, Co) alloys, respectively. The Ni2YIn (Y=Fe, Co) alloys show steady martensitic phases at c/a=1.29 and c/a=1.36 based on the EBP’s method. Ni atoms and Y (Y=Fe, Co) contribute to the total magnetic moments, and keep parallel aligned in martensitic and austenitic phases. The Ni2YIn (Y=Fe, Co) alloys are the candidates for Ferromagnetic Shape Memory Alloys.