First-principles phonon calculations of thermodynamic properties for ductile rare-earth intermetallic compounds

► The thermodynamic properties of YAg and YCu have been studied from first-principles phonon calculations.► Phonon dispersions for YAg and YCu have been obtained from DFPT. ► Phonon density of states for YAg and YCu is mostly composed of Y states at high frequencies. ► The intermetallics with better ductility have larger thermal expansions.