Crystal Structure and Tunable Photoluminescent Properties of Ce ³⁺ ‐Doped and Tb ³⁺ ‐Doped BaCa ₁₂ (SiO ₄ ) ₄ (PO ₄ ) ₂ OF ₂ Phosphors

ABSTRACT Advances in white LED technologies have intensified the demand for novel inorganic phosphors with enhanced emission properties. In this work, we present, for the first time, a systematic strategy for the discovery of novel phosphor materials, including: (i) identification of potential host oxides from the IMA mineral lists and the ICSD, (ii) confirmation of the structural suitability of BaCa 12 (SiO 4 ) 4 (PO 4 ) 2 OF 2 via Rietveld refinement analysis, and (iii) systematic characterization of the crystal structure and photoluminescent properties of BaCa 12 (SiO 4 ) 4 (PO 4 ) 2 OF 2 :M 3+ (M = Ce, Tb) phosphors. The host framework, containing BaO 6 , Ca(1)O 6 F, Ca(2)O 6 F, PO 4 , Si(1)O 4 , and Si(2)O 4 polyhedra, serves as a promising host lattice, providing versatile crystallographic sites for activator substitution. Ce 3+ ‐doped phosphors exhibit blue emission, while Tb 3+ ‐doped phosphors show intense green emission, both originating from characteristic 5 d → 4 f and 4 f → 4 f transitions, respectively. The newly discovered Ce 3+ ‐doped and Tb 3+ ‐doped BaCa 12 (SiO 4 ) 4 (PO 4 ) 2 OF 2 phosphors exhibit strong potential as blue and green emitters, respectively, for white LED applications.