The impurity-induced charge density was calculated, with the host-ion contribution being incorporated via the spherical solid model potential. The calculated activation energy of 0.27eV was found to be in good agreement with the experimentally measured value of 0.28eV. The calculated configurational energy showed that H preferred to occupy tetrahedral sites rather than octahedral sites.

N.Singh: Materials Science Forum, 1996, 223-224, 147-50