Correlation between anion related defects and ion beam induced luminescence in Y₄Zr₃O₁₂

Potential applications of Zr/Al ODS alloys vests on the irradiation stability Y4Zr3O12 dispersoids. Fundamental studies to identify type defects are important in order recognize pathways for damage alleviation. In this context, relating identification point and their clusters by in-situ ionoluminescence spectroscopy were taken up. The spectrum acquired during 100 keV He+ ion shows two prominent bands, at 330 nm 415 nm. Using density functional theory calculations with HSE06 hybrid exchange correlation functional, luminescent bands have been identified be arising due native induced oxygen vacancy charged neutral configurations.