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- W1988581039 abstract "A microscopic model for the substitutional ${mathrm{NO}}_{2}^{mathrm{ensuremath{-}}}$ impurity ion in NaCl-structure alkali halide crystals is developed on the basis of a specific theoretical potential. Coulomb, induction, and short-range interactions are included to obtain expressions for the barriers hindering the rotational motion of the impurity in the matrix cage. Preferred orientations, off-center displacements, and barrier parameters for this impurity are calculated in KCl, KBr, and KI host crystals. The results are used to explain most of the features of the infrared spectra in these impurity systems." @default.
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- W1988581039 date "1991-02-15" @default.
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- W1988581039 title "Theoretical investigation of the motional states of the nitrite ion in alkali halide crystals" @default.
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- W1988581039 doi "https://doi.org/10.1103/physrevb.43.4433" @default.
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