Determination of the Elastic Properties of Cu3Sn Through First-Principles Calculations

Nine elastic constants of single-crystal Cu3Sn were determined from first-principles calculations to characterize its polycrystalline elastic behavior and elastic anisotropy. The ideal elastic (E = 147 GPa), shear (G = 56 GPa) and bulk modulus (K = 132 GPa), and Poisson’s ratio (v = 0.315), were determined using the Voigt–Reuss–Hill method and were very close to the range of experimental results. Cu3Sn exhibits distinct anisotropy in Young’s modulus, with a 44 GPa difference between its maximum and minimum values, which may be partially responsible for the discrepancy in the reported experimental results.