  Structural, elastic, electronic and optical properties of laves phase
intermetallic compounds CaRh2 and LaRh2 prototype with MgCu2 are investigated
by using the first principle calculations. These calculations stand on density
functional theory (DFT) from CASTEP code. The calculated lattice parameters are
consistent with the experimental values. The significant elastic properties,
like as bulk modulus, shear modulus, Youngs modulus and the Poissons ratio are
determined by applying the Voigt Reuss Hill (VRH) approximation. The analysis
of Pughs ratio shows the ductile nature of both the phases. Metallic
conductivity is observed for both the compounds. Most of the contribution
originates from Rh 4d states at Fermi level in DOS. The study of bonding
characteristics reveals the existence of ionic and metallic bonds in both
intermetallics. The study of optical properties indicates that maximum
reflectivity occurs in low energy region implying the characteristics of high
conductance of both the phases. Absorption quality of both the phases is good
in the visible region.
