Growth, crystal structure and IR luminescence of KSrY1-xErx(BO3)2

Acta Crystallogr B Struct Sci Cryst Eng Mater. 2024 Apr 1;80(Pt 2):126-134. doi: 10.1107/S205252062400177X. Epub 2024 Mar 20.

Abstract

A series of novel KSrY1-xErx(BO3)2 (x = 0-1) phosphors that emit near-infrared radiation was synthesized using solid-state methods. Pure Y and Er crystals were grown using a KF flux via the top-seeded solution growth technique. In situ high-temperature single crystal X-ray diffraction, Raman spectroscopy and DFT calculations were used for characterization. Within the series, a polymorphic phase transition from space group P21/m to R3m was discovered between 550 and 600°C. The concentration dependence of the luminescence intensity was measured for the samples. A strong emission of Er3+ electron transition 4I13/24I15/2 was detected within the 1529-1549 nm range, with the maximum observed for the KSrY0.4Er0.6(BO3)2 composition.

Keywords: DFT; HT-SCXRD; Raman; crystal growth; luminescence.