6533b7d7fe1ef96bd12682e4
RESEARCH PRODUCT
Electric properties of KTiOPO4and NaTiOPO4from temperature-dependent X-ray diffraction
N. K. HansenJ. ProtasK. FischerH.-g. KraneG. MarnierS. Dahaouisubject
DiffractionElectron densityCondensed matter physicsbusiness.industryChemistryCharge densityAtomic unitsGeneral Biochemistry Genetics and Molecular BiologyPyroelectricityOpticsX-ray crystallographyIonic conductivitybusinessAnisotropydescription
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.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1999-02-01 | Journal of Applied Crystallography |