Abstract
Results of first-principles full-potential linearized augmented plane wave calculations of elastic and related electronic and thermodynamic properties of the quaternary Heusler alloys Ru2VAlxGa1−x (x=0, 0.25, 0.5, 0.75, 1) are presented. These materials were found to have the L21 structure for all concentrations. The agreement between the theoretical and experimental lattice parameters for both Ru2VAl and Ru2VGa at various temperatures was found to be satisfactory. Our results provide predictions for the remaining mixed more» Heusler alloys Ru2VAlxGa1−x (0<x<1) for which no direct experimental or theoretical data are presently available. In their equilibrium L21 structure, all concentrations are non-magnetic metals. A linear variation of the lattice parameter, bulk modulus, elastic constants and Debye temperature has been observed with x.
Published Version
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