Color Centers in BaFBr Crystals: Experimental Study and Theoretical Modeling
Talgat Inerbaev1,2, Abdirash Akilbekov1, Daurzhan Kenbayev1
1Department of Technical Physics, L.N. Gumilyov Eurasian National University, Satpayev Str. 2, Astana 010008, Kazakhstan.
Materials (Basel, Switzerland)
|July 13, 2024
Summary
This study investigates electron and hole color centers in Barium Fluoride Bromide (BaFBr) crystals, detailing their electronic and optical properties. Findings enhance understanding of defect formation and photoluminescence in these materials.
Area of Science:
- Solid State Physics
- Materials Science
- Crystal Defect Studies
Background:
- Barium Fluoride Bromide (BaFBr) crystals are investigated for their potential applications.
- Understanding color centers is crucial for material properties and performance.
- Radiation-induced defects significantly alter crystal characteristics.
Purpose of the Study:
- To theoretically and experimentally characterize electron and hole color centers in BaFBr crystals.
- To determine the electronic and optical properties of these color centers.
- To elucidate defect formation mechanisms and photoluminescence processes in Eu-doped BaFBr.
Main Methods:
- Stoichiometric BaFBr crystals grown by the Steber method were used.
- Irradiation with 147 MeV 84Kr ions at fluences up to 10^14 ions/cm^2 created radiation defects.
- Optical absorption spectroscopy was employed to identify electron color centers (F(F-), F2(F-), F2(Br-)) and hole aggregates.
Main Results:
- Experimental identification of electron color centers and hole aggregates in irradiated BaFBr.
- Comparison of experimental optical absorption measurements with theoretical calculations.
- Determination of electron transition mechanisms and photoluminescence processes.
Conclusions:
- The study successfully characterized electron and hole color centers in BaFBr crystals.
- Theoretical and experimental findings provide fundamental insights into defect structures.
- Understanding these properties is key for optimizing BaFBr materials for various applications.
Keywords:
VASPcolor centersdensity functional theory (DFT)optical absorptionsingle crystal BaFBrswift heavy ionsMore Related Videos
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