Correlation between anion defects and ion beam induced luminescence in Y4Zr3O12

TL;DR

This study investigates the relationship between anion defects and ion beam induced luminescence in Y4Zr3O12, identifying defect types via in-situ spectroscopy and theoretical calculations to understand irradiation effects.

Contribution

It combines experimental ionoluminescence spectroscopy with density functional theory to identify specific oxygen vacancy defects responsible for luminescence in irradiated Y4Zr3O12.

Findings

Luminescent bands at 330 nm and 415 nm linked to oxygen vacancies.

Defects identified as native and irradiation-induced oxygen vacancies.

Insights into defect-related luminescence mechanisms under ion irradiation.

Abstract

Potential applications of Zr/Al ODS alloys vests on the irradiation stability of the Y4Zr3O12 dispersoids. 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 were 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.