Structural, electronic and elastic properties of RERu₂ (RE=Pr and Nd) Laves phase intermetallic compounds

We have performed the first-principles calculations to study the structural, electronic and elastic properties of RERu₂ (RE = Pr and Nd) Laves phase intermetallic compounds using full-potential linearized augmented plane wave (FP-LAPW) method based on density functional theory (DFT) within the generalized gradient approximation (GGA) for exchange and correlation potential. The optimized lattices constant are in reasonable agreement with available experimental data. The electronic properties are analyzed in terms of band structures, total and partial density of states, which confirm their metallic character. The calculated elastic constants infer that these compounds are mechanically stable in C15 (MgCu₂ type) structure and found to be ductile in nature.