Point-defect formation parameters in olivine

The formation internal energy and volume of the point-defect species in olivine are derived for a number of approximate charge-neutrality conditions. The formation parameters of an effectively charged point defect are a function of the approximate condition of charge neutrality. Since the approximate charge-neutrality condition depends upon the partial pressure of oxygen and the activity of enstatite in olivine, changes in the magnitude of these thermodynamic-state variables result in different values of the formation parameters if the charge-neutrality regime is altered. The fractional change in the formation internal energies of the energetically unfavorable defects, such as Si vacancies, is small between the charge-neutrality regions while the fractional change for the favorable defects, such as Mg vacancies, is large.