Show simple item record


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

dc.contributor.authorPellicer Porres, Julio
dc.contributor.authorVazquez-Socorro, David
dc.contributor.authorLópez Moreno, Sinhué
dc.contributor.authorMuñoz, Alfonso
dc.contributor.authorRodríguez-Hernández, Placida
dc.contributor.authorMartínez-García, Domingo
dc.contributor.authorAchary, Srungarpu Nagabhusan
dc.contributor.authorRettie, Alexander J. E.
dc.contributor.authorMullins, Charles
dc.identifier.citationPellicer-Porres, Julio; Vázquez-Socorro, D: López, Sinhué; Munoz, Alfonso: Rodriguez, Placida: Martínez-García, D; Achary, S; Rettie, Alexander; Buddie Mullins, C. (2018). Phase transition systematics in BiVO 4 by means of high-pressure-high-temperature Raman experiments. Physical review. B, Condensed matter. 98. 214109. 10.1103/PhysRevB.98.214109.
dc.description.abstract"We report here high-pressure-high-temperature Raman experiments performed on BiVO4. 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 TF-Sch (K) = -166(8)P(GPa) + 528(5). The zircon-to-scheelite, irreversible, first-order phase transition takes place at T-Z-(Sch )(K) = -107(8)P(GPa) + 690(10). We found evidence of additional structural changes around 15.7 GPa, which in the downstroke were found to be not reversible. We analyzed the anharmonic contribution to the wave-number shift in fergusonite using an order parameter. The introduction of a critical temperature depending both on temperature and pressure allows for a description of the results of all the experiments in a unified way."
dc.publisherAmerican Physical Society
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 Internacional
dc.titlePhase transition systematics in BiVO4 by means of high-pressure-high-temperature Raman experiments
dc.rights.accessAcceso Abierto

Files in this item


This item appears in the following Collection(s)

Show simple item record

Attribution-NonCommercial-NoDerivatives 4.0 Internacional
Except where otherwise noted, this item's license is described as Attribution-NonCommercial-NoDerivatives 4.0 Internacional