6533b825fe1ef96bd1281cf7
RESEARCH PRODUCT
Evolution towards centrosymmetry of the nonlinear-optical materialRbTiOPO4in the temperature range 293–973 K: Alkaline displacements and titanyl deformations
Bertrand MénaertClaude LecomteG. MarnierP. DelarueM. Janninsubject
Materials sciencebusiness.industryAnharmonicitychemistry.chemical_elementCrystal structureAtmospheric temperature rangeCentrosymmetryRubidiumIonCrystalOpticschemistryAtomic physicsbusinessIntensity (heat transfer)description
The crystal structure of rubidium titanyl phosphate, ${\mathrm{RbTiOPO}}_{4}$ (space group ${\mathrm{Pna}2}_{1}$), has been refined at room temperature, and at 473, 673, 873, and 973 K, by using single-crystal x-ray-diffraction techniques. The data show a large anharmonic motion of the rubidium ions increasing with temperature. To describe the importance of this motion in the phase-transition procedure and in the ionic conductivity phenomenon, two models are developed. The study of the deviation to the centrosymmetric structure (space group Pnan) shows that the change towards centrosymmetry of the titanyl groups correlates directly with the observed variation of the second-harmonic generating intensity ${I}_{2\ensuremath{\omega}}$ of the ${\mathrm{RbTiOPO}}_{4}$ crystal versus temperature.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1998-09-01 | Physical Review B |