Search results for "Sesquioxides"

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Pressure effects on the vibrational properties of alpha-Bi2O3: an experimental and theoretical study

2014

We report an experimental and theoretical high-pressure study of the vibrational properties of synthetic monoclinic bismuth oxide (alpha-Bi2O3), also known as mineral bismite. The comparison of Raman scattering measurements and theoretical lattice-dynamics ab initio calculations is key to understanding the complex vibrational properties of bismite. On one hand, calculations help in the symmetry assignment of phonons and to discover the phonon interactions taking place in this low-symmetry compound, which shows considerable phonon anticrossings; and, on the other hand, measurements help to validate the accuracy of first-principles calculations relating to this compound. We have also studied …

Models MolecularPhase transitionPhononHydrostatic pressureMolecular Conformationchemistry.chemical_elementMolecular physicsVibrationPhase TransitionBismuthCondensed Matter::Materials Sciencesymbols.namesakeAb initio quantum chemistry methodsMaterials TestingPressureTransition TemperatureGeneral Materials ScienceComputer SimulationHydrostatic pressureChemistryLattice dynamicsCondensed Matter PhysicsAmorphizationAmorphous solidCrystallographyModels ChemicalFISICA APLICADAsymbolsSesquioxidesAb initio calculationsBismuthRaman scatteringMonoclinic crystal system

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