Journal of Applied Crystallography

Volume 32, Part 1 (February 1999)

J. Appl. Cryst. (1999). 32, 1-10    [doi:10.1107/S002188989800497X]

Electric properties of KTiOPO₄ and NaTiOPO₄ from temperature-dependent X-ray diffraction

S. Dahaoui, N. K. Hansen, J. Protas, H.-G. Krane, K. Fischer and G. Marnier

Abstract: 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 behaviour of ionic conductivity of KTP single crystals.

Online 1 February 1999

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