Bulk and (001)-surface equal-time vibrational correlation functions of LiF, MgO, and NaCl

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Abstract
Mean-square amplitudes of vibration and vibrational-amplitude correlation functions are of importance for a variety of scattering phenomena in the bulk and at the surfaces of crystals. Using shell models, equal-time vibrational correlation functions have been calculated for the bulk and the (001) surface of LiF, MgO, NaCl, RbF, and RbCl, for temperatures in the range 0-500°K. For reasons of space, the results reported in this paper are limite 1 to LiF, MgO, and NaCl. Both distance dependence (at 300°K) and temperature dependence of the correlation functions are displayed.