We examine the surface configurations of sodium and cesium chloride using a simplified Born-Mayer-Huggins Interaction potential which neglects van der Waals forces and polarization. Displacements of the outer five layers normal to the {100} and {110} faces of sodium and cesium chloride respectively are considered. We adopt the procedure of determining the total force exerted by the planes of charge on an ion in a given plane as a function of their displacements and equate it to zero. Systems of simultaneous equations are thus arrived at and are solved by an iteration procedure. Two separate cases are considered: 1) nearest neighbor interaction only, and 2) second neighbor interaction. The effect of a free boundary on the variations in interionic spacings of the surface ions is found to decrease rapidly with increasing depth in the range considered. Both contraction and expansion of the surface layers is observed, and the configurations are found to depend highly on the form of the interaction potential. / Science, Faculty of / Physics and Astronomy, Department of / Graduate

Thesis--M. Phil., University of Hong Kong, 1982.

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published_or_final_version / Physics / Master / Master of Philosophy

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An expression for the dielectric susceptibility tensor of a cubic ionic crystal has been derived using the classical Liouville operator. The effect of cubic anharmonic forces is included as a perturbation on the harmonic crystal solution, and a series expansion for the dielectric susceptibility is developed. The most important terms in the series are identified and summed, yielding an expression for the complex susceptibility with an anharmonic contribution which is linearly dependent on temperature. A numerical example shows that both the real and imaginary parts of the susceptibility are continuous, finite functions of frequency.

Realizamos medidas dielétricas a baixas freqüências (10-2-40Hz) em cristais de KCN empregando uma ponte de ultra-baixas freqüências, bem como a altas freqüências (50-104 Hz) empregando uma ponte de capacitância comercial (General Radio). As curvas de perda dielétrica mostraram um bom ajuste entre altas e baixas freqüências. Obtivemos picos de perda dielétrica num intervalo de cinco décadas e entre 53 e 78K. Os picos destas curvas foram ajustados segundo uma equação de Arrhenius, e obtivemos uma energia de ativação de 0,148 eV e um tempo de relaxação característico de 6,53 x 10-15s para os dipolos CN-. Para temperaturas entre 53 e 59K observamos o aparecimento gradual de um segundo pico de perdas de 25Hz. Sua origem ainda não é conhecida, mas isto sugere que o cristal de KCN pode apresentar propriedades de um dielétrico composto, com dois mecanismos de relaxação distintos. / Dielectric measurements were performed at low frequencies (10-2- 40Hz) with an ultra-low frequency bridge in KCN crystals , as well as at high frequencies (50-10-4 Hz) employing a commercial capacitance bridge (General Radio). The dielectric loss curves show a good adjustment between the high and low frequencies. We obtain dielectric loss peaks in a window of five decades and in the range of 53 and 78 K. The peaks of these curves were fitted with an Arrhenius expression giving for the CN- dipoles an activation energy of 0,148eV and an attempt relaxation time of 6,53x10-15. At temperatures between 53 and 59K we observed the gradual appearing of a second loss peak for frequency of 25Hz. Its origin is not yet known butt his suggestt that the KCN, crystal may present compound dielectric properties , with - two distinct relaxation mechanisms.

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