TIGHT-BINDING PARAMETERS FOR SILICON BORON INTERACTIONS WITH APPLICATION TO BORON DEFECT PAIRS IN CRYSTALLINE SILICON

set of empirical tight-binding parameters using the well established G oodwin-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 to tal energies obtained from ab initio calculations. In addition to a di scussion regarding the parameter development, this work also presents some examples of the application of the Si-B tight-binding model to th e study of defect-dopant pair formation.