Phase Transformations in Ni(Co)–Mn(Cr,C)–(In,Sn) Alloys: An Ab Initio Study

Abstract—The phase transformations in the Heusler alloys of Ni(Co)–Mn(Cr,C)–In and Ni(Co)–Mn(Cr,C)–Sn(Al) have been studied in this work using the density-functional theory. The possibility of martensitic phase transitions from the cubic L21-structure into tetragonal L10-state has been predicted, and the transition temperatures have been estimated. Energetically favorable magnetic configurations, lattice parameters, and magnetic moments of austenite and martensite phases have been determined. The Curie temperatures and elastic moduli of cubic phases of alloys have been calculated. In Ni–Mn–Sn alloys with Co addition, the effect of exchange-correlation functional on the ground state has been investigated.