8–13 Jun 2025
America/Winnipeg timezone
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(POS-20) Probing the Electronic Structure and Luminescence Mechanisms of BaSiP₃N₇:Eu²⁺ Using DFT and Synchrotron-Based Spectroscopy.

10 Jun 2025, 18:18
2m
Poster Competition (Undergraduate Student) / Compétition affiches (Étudiant(e) du 1er cycle) Condensed Matter and Materials Physics / Physique de la matière condensée et matériaux (DCMMP-DPMCM) DCMMP Poster Session & Student Poster Competition | Session d'affiches DPMCM et concours d'affiches étudiantes (13)

Speaker

Osebi Daudu (university of Saskatchewan)

Description

The development of high-efficiency light-emitting diodes (LEDs) relies on advanced luminescent materials that enhance their performance. BaSiP3N7:Eu²⁺ has emerged as a promising phosphor due to its strong luminescence properties. To gain deeper insight into its electronic and optical behavior, we employed a combination of experimental techniques, including X-ray absorption spectroscopy (XAS), X-ray emission spectroscopy (XES), resonant inelastic X-ray scattering (RIXS), and X-ray excited optical luminescence (XEOL), complemented by density functional theory (DFT) calculations.
Our study reveals key electron transition mechanisms, notably the 5d → 4f transition of Eu²⁺, which serves as the primary indicator of luminescence efficiency. Additionally, we examine charge transfer effects, thermal quenching mechanisms, energy transfer pathways, and defect impurities arising from material synthesis in BaSiPN:Eu²⁺, providing deeper insight into the factors that govern its luminescence performance. These findings deepen our understanding of the electronic and optical properties of BaSiP3N7:Eu²⁺, guiding its optimization as a high-performance phosphor for LED applications.

Keyword-1 Synchrotron techniques
Keyword-2 DFT
Keyword-3 Luminiscence & LEDs

Author

Osebi Daudu (university of Saskatchewan)

Co-authors

Alexander Moewes (University of Saskatchewan) Teak Boyko (Canadian Light Source) Wolfgang Schnick (University of Munich, Germany)

Presentation materials