Iron-acceptor pairs (Fe-A, A = B, Al, Ga, and In) in silicon were investigated using an ionic-based model, which incorporates the valence electron cloud polarization and the lattice relaxation.Our results are generaly in good agreement with the experimental trends among the Fe-A pairs, describing the increase in the pair donor energy level with increasing A principal quantum number and decreasing pair separation distance, and the pair configurational symmetries.
