Interstitial defects in irradiated alkali halides

Abstract
The authors have made calculations comparing the energy of various atomic and molecular halogen defects in NaCl. We have found that it is energetically possible for the H centres produced by irradiation to form a defect comprising a Cl2 molecule in a divacancy if the adjacent ions are removed to a surface or dislocation. The observed perfect interstitial loops may thus form exothermically from H centres.