Mechanical properties and work function of L21 structure AlCu2X (XÂ =Â Ti, Mn, Zr, or Hf) intermetallics

► The ductility of AlCu2Zr is the largest among the intermetallics. ► Work function of (1 1 0) is higher than (1 0 0). ► Shear modulus and WF decrease with composition.