Relationship between the modified embedded-atom method and Stillinger-Weber potentials in calculating the structure of silicon

We show that the Stillinger-Weber (SW) potential is a special case of the modified embedded-atom method (MEAM) potential, by deriving the appropriate functional forms and parameter values for the MEAM potential. The electron density and pair potential functions have physically plausible forms. The embedding function is quadratic in the electron density and yields an antibonding contribution under all circumstances. Using these results SW silicon can be conveniently extended to silicon-metal systems within one theoretical framework and one computational scheme. The properties of SW silicon and silicon modeled by the native MEAM representation are compared.