Theory study of structural parameters, elastic stiffness, electronic structures and lattice dynamics of RBRh3 (RÂ =Â Sc, Y, La and Lu)

► Based on DFT calculations, RBRh3 (R = Sc, Y, La and Lu) have been investigated. ► These compounds have a mixture of covalent-ionic and metallic for bonding. ► RBRh3 materials show mechanical stability and high elastic moduli. ► The RBRh3 compounds clearly behave plastically as predicted by the B/G ration. ► The phonon properties of RBRh3 are investigated for the first time.