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- W1978707780 abstract "Abstract The polarizable point-ion model augmented with the inclusion of the effect of the nearestneighbour repulsion was applied to the calculation of some electrical properties of the ferroelectric phases of KNbO 3 . The effect of the repulsive interactions on the induced dipole moments was parameterized in such a way that the division of atoms into shells and cores was avoided. The free parameters of the model were fixed using as fitting data the experimental spontaneous polarization P s and the refractive index n x of the orthorhombic phase. The calculated values of P s for the tetragonal, orthorhombic and rhombohedral phases are 38.0, 41.0 and 43.9 μC cm −2 , respectively. The calculated refractive indices for the orthorhombic phase do not agree with the experimental values due to the shortcomings of the model used. This point was clarified by studying the variation of the refractive indices as functions of the magnitudes of the ionic displacements as well as functions of the ferroelectric strain. Within the model used, it is possible to enhance the optical anisotropy by adding small non-linear terms depending quadratically on the local electric field to the values of the polarizabilities. After modification, however, the model failed to reproduce the experimental value of the difference n y − n z due to the relative magnitudes of the y and z components of the local field acting at ionic sites." @default.
- W1978707780 created "2016-06-24" @default.
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- W1978707780 date "1988-01-01" @default.
- W1978707780 modified "2023-09-27" @default.
- W1978707780 title "Electrostatical properties of the ferroelectric phases of KNbO3" @default.
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- W1978707780 doi "https://doi.org/10.1016/0022-3697(88)90171-0" @default.
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