1. Study of effect of copper-substitution at Ga site in some Ga-based Heusler alloys from first-principles calculations
- Author
-
Tufan Roy and Aparna Chakrabarti
- Subjects
Austenite ,Work (thermodynamics) ,Materials science ,Condensed matter physics ,Alloy ,chemistry.chemical_element ,Inverse ,engineering.material ,Copper ,chemistry ,Phase (matter) ,engineering ,Curie ,Coupling (piping) - Abstract
In this work we have predicted the mechanical and magnetic properties of cubic austenite phase of the Cu substituted alloys of Ni2MnGa and Mn2NiGa at the Ga site i.e. Ni2MnCu and Mn2NiCu, respectively, as well as of Pt2MnCu and Pd2MnCu. We have observed that the conventional Heusler structure is lower in energy compared to the inverse Heusler structure for the Ni2MnGa, Pt2MnGa and Pd2MnGa and the Cu-substituted materials, whereas Mn2NiGa and its Cu-substituted alloy at Ga site assume the inverse structure. From the calculated elastic constants, we find that Pt2MnCu is expected to be the most ductile material among all the substituted materials studied here. We have calculated and compared the Curie temperatures derived from the Heisenberg exchange coupling parameters.
- Published
- 2015