Phase transition systematics in BiVO4 by means of high-pressure–high-temperature Raman experiments

2018

We report here high-pressure--high-temperature Raman experiments performed on ${\text{BiVO}}_{4}$. We characterized the fergusonite and scheelite phases (powder and single crystal samples) and the zircon polymorph (nanopowder). The experimental results are supported by ab initio calculations, which, in addition, provide the vibrational patterns. The temperature and pressure behavior of the fergusonite lattice modes reflects the distortions associated with the ferroelastic instability. The linear coefficients of the zircon phase are in sharp contrast to the behavior observed in the fergusonite phase. The boundary of the fergusonite-to-scheelite second-order phase transition is given by ${T}_…