{H,P}0↔{H,P}+ transitions: A new look at donor-hydrogen pairs in Si

Abstract
Recent experiments have shown that reversible changes in the charge state of {H,P} pairs in silicon can be initiated by injection of holes. The reaction {H,P}0+h+→{H,P}+ is spontaneous, while the reverse {H,P}++e→{H,P}0 is very slow. We have calculated the barriers for these two reactions and the vibrational modes of H in the two charge states. These calculations explain most of the new data and two experimentally verifiable predictions are made.