Influence of structural modifications on mechanical and magnetic properties of Co2FeGa full Heusler alloys: A comparative study on L21 and XA structures.

In this study we are investigating the effect of pressure and tetragonal distortion of Co 2 FeGa full Heusler compound in L2 1 and XA structures on the elastic, magnetic and thermomagnetic properties. Our approach for this is by using density functional theory (DFT) and Monte Carlo (MC) simulation. Our result reveals a significant effect of pressure on the magnetization and Curie temperature on both prototypes. The elastic constants calculated here determine the stable configuration on both structures. The exchange interaction is also influenced by the pressure. The same sort of behavior of the effect of tetragonal distortion is seen on the elastic constants, magnetization, and exchange interaction. Therefore, a detailed significant effect is found in this work and compared to previous studied. [ABSTRACT FROM AUTHOR]