First-principal study of full Heusler alloys Co2VZ (ZÂ =Â As, In)

We have used full-potential linearized augmented plane wave method in the stable Fm-3m phase to investigate the structural, elastic, magnetic and electronic properties of Co2VZ (Z = As, In). The optimized equilibrium lattice parameter in stable phase is 5.80 Å for Co2VAs and 6.01 Å for Co2VIn. Ferromagnetic behavior of both the alloys is explained by the spin resolved density of states. The exchange splitting due to Co and V atoms are responsible for the ferromagnetic behaviour. No energy gap is found in spin up state while an energy gap can be seen in spin down state, hence, showing half-metallic nature. Elastic stability is discussed through elastic constants. Thermodynamic properties of the alloys have been obtained by using the quasi-harmonic approximations. Boltzmann theory is employed to investigate the electronic transport properties of these alloys.