An attempt was made to explain H multi-trapping and H2 molecule formation in P-doped and B-doped material. The model which was developed assumed the existence of a metastable configuration (of the H-donor complex) which had a donor character, as well as the ability of donor atoms to trap several H ions (by Coulombic attraction). This led to the prediction of microscopic mechanisms, for H trapping in P-doped Si, which were more efficient than those proposed for B-doped Si. It was concluded that this accounted for the differing atomic H profiles and diffusivities which were observed in the 2 materials. These microscopic mechanisms also provided useful guidance for the improvement of phenomenological models for H diffusion. The existence of a metastable complex configuration which had donor characteristics agreed well with published results on the annealing of hydrogenated Schottky diodes which were made from P-doped Si.

A.A.Bonapasta: Physical Review B, 1992, 46[16], 10119-26