Tight-binding parameters for silicon-boron interactions with application to boron-defect pairs in crystalline silicon

A set of empirical tight-binding parameters using the well established Goodwin-Skinner-Pettifor functional form has been produced to describe the interactions between Si and B atoms. The Si-B parameters presented here have been chosen to reproduce ground-state band structure and total energies obtained from ab initio calculations. In addition to a discussion regarding the parameter development, this work also presents some examples of the application of the Si-B tight-binding model to the study of defect-dopant pair formation.