Crystal Growth and Structural Characterization of Cs₂LiLaBr₆:Ce Using Neutron Diffraction

Ce-doped Cs2LiLaBr6 (CLLB) scintillator crystals, known for their superior neutron/gamma dual-mode detection capability and exceptional scintillation properties, have garnered significant attention for both fundamental science and practical applications. The role of Ce3+ cations as luminescent centers is pivotal, influencing the scintillation properties as their concentration varies. While the effects of Ce3+ concentration on scintillation performance are well-documented, the ramifications for crystalline structure remain less explored. In this study, high-quality CLLB:Ce single crystals are fabricated(atomic packing factor of maximum doped Ce is 0.04%) using the vertical Bridgman (VB) method and subsequently characterized their crystalline structure by neutron diffraction, X-ray diffraction (XRD), and elemental analysis. The findings reveal a correlation between Ce3+ concentration and the crystal cell parameters, presenting intriguing deviations from Vegard's law. Such observations suggest the potential presence of alternative defects, potentially Li+ interstitials, in CLLB:Ce. This work offers critical insights for advancing the understanding and optimization of CLLB:Ce scintillators.