A theoretical investigation was made of the local vibrational modes of H in the H-P complex. The energy surface of the H was calculated by using  ab initio  methods, fitted to a model potential, and the vibrational spectrum was investigated by using perturbation theory. A Fermi resonance was found between the second H-wagging and fundamental stretching modes. The predicted vibrational frequencies agreed well with experimental data, and confirmed a recent attribution of the H vibrational bands of donor-H complexes in Si.

R.H.Luchsinger, P.F.Meier, Y.Zhou: Physical Review B, 1998, 57[8], 4413-8