Shell-model calculations of the far-infrared optical properties of CsI

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Abstract
The far-infrared optical properties of CsI, including the real and imaginary dielectric constants, absorption coefficient, refractive index, and reflectivity, have been calculated absolutely using shell-model lattice-dynamical data, fitted to dispersion curves measured by inelastic neutron scattering, as input to the calculations. The calculations were based on cubic anharmonicity only. The results show a marked improvement in the wave number position of certain structure in the optical properties over that previously obtained using deformation-dipole lattice-dynamical data. The agreement with experiment at 300, 77, 20, and 12 K is generally very good apart from the obvious need for quartic anharmonicity at higher temperatures, a discrepancy in the wave number shift applied to the resonance wave number, and a few details of structure predicted by the shell model and not observed experimentally.
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