Correlation between anion defects and ion beam induced luminescence in Y4Zr3O12

Abstract

Potential applications of Y 4 Zr 3 O 12 as radiation waste containment and reinforcements of Zr/Al ODS alloys vest on its irradiation stability. Fundamental studies to identify the type of defects are important in order to recognize pathways for damage alleviation. In this context, studies relating to identification of point defects and their clusters by in-situ ionoluminescence spectroscopy are taken up. The ionoluminescence spectrum acquired during 100 keV He + ion irradiation shows two prominent bands, at 330 nm and 415 nm. Using density functional theory calculations with HSE06 hybrid exchange correlation functional, the luminescent bands have been identified to be arising due to native and irradiation induced oxygen vacancy defects in charged and neutral configurations.