LAUSR

The structural, electronic and elastic properties of REIr2 (RE = Sc, Y and La) type Laves phase compounds in C15 structure have been studied using full-potential linearized augmented plane wave method with generalized gradient approximation based on density functional theory. The ground state properties such as lattice constants are in good agreement with the experimental results. The electronic properties such as band structures, total and partial density of states confirm their metallic character. The pressure dependent behavior of density of states are also calculated and found that they are structurally stable. The elastic constants calculated as a function of pressure for all REIr2 (RE = Sc, Y and La) type compounds. The others secondary elasticity parameters are also reported. The results show that all REIr2 (RE = Sc, Y and La) compounds are ductile according to the analysis of B0/GH and Cauchy’s pressure.