The Infrared Spectra Due to H- Ions in the Alkali Halides

Abstract

<p> Measurements of the infrared absorption spectra of potassium and sodium halide crystals with substitutional H- ion impurities are presented and compared with calculations which use rigid ion and ordinary shell models for the defect along with phonon data obtained from inelastic neutron scattering measurements. It is shown that the shell model is necessary to give a satisfactory account of the observed anharmonic side band absorption in the sodium halide crystals and that it improves the rigid ion results for the potassium halide crystals. The same model also satisfactorily describes the impurity induced far-infrared absorption in these materials. Some Van Hove singularities observed in the far infrared measurements occur at frequencies predicted from phonon densities of states calculated from neutron scattering data while others occur at slightly different frequencies.</p>