Effects of Covalency on the Phonon Dispersion Relations in the NaCl-Type Alkali Halide Crystals. III

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  • Motida Kiyosi
    Department of Physics, Faculty of Science, Hokkaido University

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  • Effects of Covalency on the Phonon Dispersion Relations in the NaCl Type Alkali Halide Crystals.II

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A lattice dynamical model for the NaCl-type crystals are constructed which is a composite of the covalency model and the deformation dipole model. Using this model, the covalency parameter nc, the number of electrons occupying the outer most s orbitals of an alkali metal atom, is determined from the measured dispersion curves of 13 NaCl-type alkali halides by the least-squares analyses subject to the constraint that the model parameters reproduce the dielectric and elastic constants. The obtained nc values are contrary to the expectation of the traditional idea (nc=0): about 0.08 for the fluorides, 0.10 the chlorides, and 0.15 the bromides and iodides.

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