Role of BPO4 flux in BaBPO5 crystal growth characterized through high-temperature Raman spectroscopy

In this study, we explored the growth of incongruently melting crystals in a starting solution with flux to better understand the role of flux in crystal growth mechanisms. We recorded the spectrum of BaBPO5 crystals across a 200-1400 cm−1 range for detailed Raman spectroscopic analysis. The observed Raman bands corresponded to the vibrations of PO4 and BO4 units. These units link with B-O-P bonds via common corners to form PBO7 groups that serve as basic structural units of the crystal. Notably, these PBO7 structures remain stable at high temperatures up to the crystal melting point, at which the isolated PO4 groups predominantly exist in the melt, as revealed by high-temperature Raman spectroscopy. Further investigations into the Raman spectra of the starting solution enriched with BPO4 self-flux indicate that PBO7 groups are crucial for crystal growth. The addition of PBO4 flux aids in the formation of these PBO7 units. This research paves the way for expanding our understanding to other systems, which will help elucidate the mechanisms behind crystal growth.