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Updated: Dec 5, 2025

Low-energy Cathodoluminescence for OxyNitride Phosphors
Published on: November 15, 2016
Oxygen vacancies induced photoluminescence in [Formula: see text] nanophosphors probed by theoretical and
Manju1,2, Megha Jain1,2, Saibabu Madas3,4
1Advanced Materials Research Lab, Department of Basic and Applied Sciences, Punjabi University Patiala, Patiala, Punjab 147 002 India.
Abstract:
We report, for the first time, the influence of oxygen vacancies on band structure and local electronic structure of [Formula: see text] (SZO) nanophosphors by combined first principle calculations based on density functional theory and full multiple scattering theory, correlated with experimental results obtained from X-ray absorption and photoluminescence spectroscopies. The band structure analysis from density functional theory revealed the formation of new energy states in the forbidden gap due to introduction of oxygen vacancies in the system, thereby causing disruption in intrinsic symmetry and altering bond lengths in SZO system. These defect states are anticipated as origin of observed photoluminescence in SZO nanophosphors. The experimental X-ray absorption near edge structure (XANES) at Zn and Sr K-edges were successfully imitated by simulated XANES obtained after removing oxygen atoms around Zn and Sr cores, which affirmed the presence and signature of oxygen vacancies on near edge structure.
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