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- W4246995566 abstract "The phonon frequencies of mixed alkali-halide crystals with positive-ion substitution have been calculated as a function of wave-vector and molar-mixing ratio. The mixed-crystal model utilizes a pseudo-unit-cell as a basic repetitive unit incorporated into the breathing-shell model of lattice dynamics. The model parameters are deduced from physical observables such as the elastic constants, long-wavelength transverse-optical-mode frequency, and the high- and low-frequency dielectric constants. Short-range repulsive interactions are described in the context of the three-dimensional calculation and the experimentally known one- and two-mode behavior. The effect on the ion interactions of the introduction of a finite amount of foreign atoms in the perfect lattice of the parent compounds is studied in terms of a phenomenological Madelung constant. Room-temperature calculations of one- and two-phonon densities of states and dispersion relations of ${mathrm{K}}_{1ensuremath{-}x}{mathrm{Rb}}_{x}mathrm{I}$, ${mathrm{Na}}_{1ensuremath{-}x}{mathrm{K}}_{x}mathrm{Cl}$, and ${mathrm{K}}_{1ensuremath{-}x}{mathrm{Rb}}_{x}mathrm{Cl}$ are found to agree with the available neutron, Raman scattering, infrared reflection, and absorption data." @default.
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- W4246995566 date "1982-10-15" @default.
- W4246995566 modified "2023-09-26" @default.
- W4246995566 title "Lattice dynamics of mixed alkali halides. II. Positive-ion substitution" @default.
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- W4246995566 doi "https://doi.org/10.1103/physrevb.26.4606" @default.
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