Investigations of physical properties of vanadium-doped ti2fega inverse-heusler type alloys within the density functional theory

In this study, the structural, electronic, magnetic and mechanical characteristics of (Ti1-xVx)2FeGa (x = 0; 0.25; 0.5; 0.75; 1) alloys were calculated using the generalized gradient approach with Density Functional Theory. The structural properties of these alloys were examined by calculating the lattice constants. Electronic band curves and state densities for these materials were calculated and evaluated. All of these alloys whose magnetic characteristics were examined showed magnetic characteristics. Elastic constants within the scope of mechanic characteristics were examined by using stress-strain method. As all of these alloys meet Born stability criteria as understood from the calculated elastic constants, these alloys are mechanically stable. In addition, Bulk modulus, Shear modulus, B / G ratio, Young modulus, poisson ratio and anisotropy factor were procured by calculation. It was concluded that these alloys had a ductile nature within the B / G ratio and anisotropic within anisotropy factor.