DFT and Monte Carlo study of the structural, mechanical, electronic, magnetic and magnetocaloric properties of the Co2VGa Heusler alloy

Abstract

We determined the structural, mechanical, electronic and magnetic properties of the Co2VGa by using full-potential linearized augmented plane-wave (FP-LAPW) method and Monte Carlo simulation. The structural stability studies were performed for nonmagnetic, ferromagnetic and antiferromagnetic states. The elastic parameters and their derivatives have been calculated. The investigated energy band structure shows that the Co2VGa is half metallic. The total magnetic moments, stiffness constant of spin wave and the Curie temperature are also calculated. The magnetocaloric effect of this material are studied using the results obtained by FP-LAPW. The transition temperature, magnetic entropy change and relative cooling power are calculated.