Extended Finnis-Sinclair potential for bcc and fcc metals and alloys

We propose an extended Finnis-Sinclair (FS) potential by extending the repulsive term into a sextic polynomial for enhancing the repulsive interaction and adding a quartic term to describe the electronic density function. It turns out that for bcc metals the proposed potential not only overcomes the 'soft' behaviour of the original FS potential, but also performs better than the modified FS one by Ackland et al, and that for fcc metals the proposed potential is able to reproduce the lattice constants, cohesive energies, elastic constant, vacancy formation energies, equations of state, pressure-volume relationships, melting points and melting heats. Moreover, for some fcc-bcc systems, e.g. the Ag-refractory metal systems, the lattice constants, cohesive energies and elastic constants of some alloys are reproduced by the proposed potential and are quite compatible with those directly determined by ab initio calculations.