High-pressure study of ScVO4 by Raman scattering and ab initio calculations
We report results of experimental and theoretical lattice-dynamics studies on scandium orthovanadate up to 35 GPa. Raman-active modes of the low-pressure zircon phase are measured up to 8.2 GPa, where the onset of an irreversible zircon-to-scheelite phase transition is detected. Raman-active modes i...
| Autores: | ; ; ; ; ; ; ; |
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| Tipo de documento: | Artículo |
| Fecha de publicación: | 2011 |
| País: | España |
| Institución: | Universitat Politècnica de València (UPV) |
| Repositorio: | RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia |
| Lenguaje: | Inglés |
| OAI Identifier: | oai:riunet.upv.es:10251/48137 |
| Acceso en línea: | https://riunet.upv.es/handle/10251/48137 |
| Nivel de acceso: | Acceso abierto |
| Palabra clave: | X-Ray Diffraction Augmented-wave method Scheelite structure Phase-transition Crystals Oxygen Luminescence Spectroscopy Spectra Zircon FISICA APLICADA |
| Sumario: | We report results of experimental and theoretical lattice-dynamics studies on scandium orthovanadate up to 35 GPa. Raman-active modes of the low-pressure zircon phase are measured up to 8.2 GPa, where the onset of an irreversible zircon-to-scheelite phase transition is detected. Raman-active modes in the scheelite structure are observed up to 16.5 GPa. Beyond 18.2 GPa we detected a gradual splitting of the Eg modes of the scheelite phase, indicating the onset of a second phase transition. Raman symmetries, frequencies, and pressure coefficients in the three phases of ScVO4 are discussed in the light of ab initio lattice-dynamics calculations that support the experimental results. The results on all the three phases of ScVO4 are compared with those previously reported for related orthovanadates. |
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