Mechanical Properties of Y2Al Crystal

Using Density functional theory (DFT) calculations, we study the structural parameters and mechanic properties of Y2Al compound. Investigated using the generalized gradient approximation (GGA) with ab initio method. The inde-pendent elastic constants of Y2Al compound were calculated and the results show that Y2Al compound is mechanically stable. Some polycrystalline quantities such as the bulk and shear modulus, Young’s modulus, and Poisson’s ratio of Y2Al compound were derived from calculated elastic constants. The obtained results were compared with the existing experimental and other theoretical data.