Tight-binding potentials for sputtering simulations with fcc and bcc metals

The parameters of many-body tight-binding (TB) potentials have been determined for 26 fcc and bcc metallic elements. The potentials are intended for application in classical dynamics simulations of sputtering phenomena. The potentials are fitted to the cohesive energy, lattice constant, elastic constants and vacancy formation energy of each element, using a cut off beyond the second (fcc) or third (bcc) neighbour distance. The surface binding energies, surface energies, and cluster (dimer and trimer) binding energies predicted by the TB potentials are reported. Practical issues relating to the incorporation of the potentials into sputtering simulation codes are discussed.