Polarizabilities and Shielding Factors of Ions in Cesium Halide Crystals with the Cesium-Chloride Structure

Abstract

The calculated results of the polarizabilities and the quadrupole shielding factor of the ions in cesium halide crystals with the cesium-chloride structure are presented. The calculation is done on the basis of the self-consistent field local density approximation and the modified Sternheimer equation. The crystalline potential is treated by the spherical solid model. The size effect is seen in the values of the polarizabilities and the quadrupole shielding factor. The values of the polarizabilities and the quadrupole shielding factor of cesium ion show only slight change in different crystals. The values of chlorine ion show significant reduction and the amount of the reduction is different in the different crystals. The effect of the crystalline environment on the electron states is discussed.