The First Principle Studies on the Ferromagnetic Shape Memory Effect of Ni_2YIn(Y=Fe, Co) Heusler Alloys

摘要

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 A and 6.00 A for Cu_2MnAl type Ni_2Y In (Y=Fe, Co) alloys, respectively, The Ni_2YIn (Y=Fe, Co) alloys show steady marteositic 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 Ni_2Y In (Y=Fe, Co) alloys are the candidates for Ferromagnetic Shape Memory Alloys.