The third-order elastic moduli and pressure derivatives for AlRE (RE=Y, Pr, Nd, Tb, Dy, Ce) intermetallics with B2-structure: A first-principles study

► The third-order elastic moduli of AlRE intermetallics are obtained from DFT calculations. ► The method of applying a series of finite strains has been employed. ► The range of the deformation has been discussed both for linear and nonlinear elasticity. ► The pressure derivatives of second-order elastic have also been calculated.