Journal of Raman Spectroscopy · 2001 · 105 citations · 3 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsCrystal StructureSolid State PhysicsAb Initio MethodsCrystal LatticeCrystal SystemsElectron-phonon InteractionsLattice DynamicsRaman SpectroscopyLattice EnergyPhonon CalculationsPhonon DynamicsPhonon ScatteringPhononsZone-center Phonons
A short-range force constant model was applied for the first time to investigate the phonons in A2Ti2O7 (A = Y, Sm, Gd, Yb) pyrochlores in their cubic phase of space group Fd3m. The calculations of phonons were made with five stretching and four bending force constants. The calculated values of Raman and infrared wavenumbers are in good agreement with the observed values. Copyright © 2001 John Wiley & Sons, Ltd.
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