Computer simulation of threshold radiation damage in rutile, Tio₂

Abstract

Computer simulation methods have been used to study threshold radiation damage structures in rutile. It was found Ti ions have threshold energies much larger than O ions. Basal plane displacements for oxygen were shown to be complex, and focuson behaviour was only found at energies several times the threshold energy. Oxygen ions do not have simple interstitials or vacancies, but rather a three-ion crowdion and divacancy-interstitial combination were found, respectively. Threshold energies were found to be highly dependent on crystallographic direction, being as low as 10 eV in one instance, but often much higher. Oxygen ions were seen to defocus along the c-axis.