Calculations of elastic constants for noble metals with pseudopotential method

The third order elastic constants and the pressure derivatives of the second order elastic constants for noble metals (Cu, Ag and Au) at OK are calculated using the pseudopotential model and the overlap energy of noble metals proposed by us in Ref [1]. Five undeter mined parameters are determined by experimental data of the total energy, three second order elastic constants and the lattice constant of the crystal at OK and zero pressure. The comparisons between theoretical calculations and experiments show that the present results for gold are closer to the experimental data than those obtained by other authors.