An Interatomic Pair Potential for Copper Calculation of Stacking Fault Energy

Two potential functions, V 2 ( R ) and V eff ( R ) are derived for Cu from phonon dispersion curves. V 2 ( R ) is fitted to the phonon frequencies without considering possible multi‐ion effects, whereas V eff ( R ) is constructed by including dominant multi‐ion interactions in the potential. V 2 ( R ) is in relatively close agreement with more fundamental potentials at short distances, whereas V eff ( R ) appears to give a somewhat better representation of the long‐range interactions. Both of these potentials are used in a calculation of the energies of intrinsic and extrinsic stacking faults. This calculation gives reasonable results, 30 mJ/m 2 for γintr and 35 mJ/m 2 for γextr.