Author: S. Dahaoui

0000000000297194

AUTHOR

S. Dahaoui

Electric properties of KTiOPO4and NaTiOPO4from temperature-dependent X-ray diffraction

Single crystals of KTiOPO4(KTP) and NaTiOPO4(NaTP) show pronounced pyroelectric behaviour. In order to determine the origin of this property on an atomic scale, X-ray diffraction measurements have been carried out at several temperatures between 100 and 600 K. Modelling of the electron density and the evolution of the structure as a function of temperature has enabled the determination of values for the spontaneous polarization of the compounds and the pyroelectric coefficient of KTP, principally due to the alkaline-ion displacements with a value of 2.0 nC cm−2 K−1. Structure modifications, compared with NaTiOPO4, and the calculation of the electrostatic potential explain the anisotropic be…

research product

CCDC 141388: Experimental Crystal Structure Determination

Related Article: F.Jerome, B.Billier, J.-M.Barbe, E.Espinosa, S.Dahaoui, C.Lecomte, R.Guilard|2000|Angew.Chem.,Int.Ed.|39|4051|doi:10.1002/1521-3773(20001117)39:22<4051::AID-ANIE4051>3.0.CO;2-A

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