6533b7d2fe1ef96bd125e013
RESEARCH PRODUCT
High-pressure study of ScVO4by Raman scattering andab initiocalculations
A. K. TyagiJavier López-solanoAlfonso MuñozFrancisco Javier ManjónV. K. PanchalDaniel ErrandoneaSrungarpu N. AcharyPlácida Rodríguez-hernándezsubject
Phase transitionMaterials scienceAb initiochemistry.chemical_elementCondensed Matter PhysicsMolecular physicsElectronic Optical and Magnetic Materialssymbols.namesakechemistryAb initio quantum chemistry methodsPhase (matter)X-ray crystallographysymbolsScandiumRaman spectroscopyRaman scatteringdescription
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 ${E}_{g}$ modes of the scheelite phase, indicating the onset of a second phase transition. Raman symmetries, frequencies, and pressure coefficients in the three phases of ScVO${}_{4}$ are discussed in the light of ab initio lattice-dynamics calculations that support the experimental results. The results on all the three phases of ScVO${}_{4}$ are compared with those previously reported for related orthovanadates.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2011-02-25 | Physical Review B |