Temperature dependence of thermal vibrations in cubic ZnS: A comparison of anharmonic models

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Abstract
Accurate integrated intensities for the Bragg reflection of neutrons from a ZnS single crystal have been measured at temperatures between 285 and 1173 K. After correction for thermal diffuse scattering and extinction effects the data were interpreted with different models that allow anharmonic contributions to the temperature factor. Both the cumulant expansion and the one‐particle potential (OPP) model with quasiharmonic temperature dependence describe the data satisfactorily, although the Grüneisen parameter obtained in the OPP analysis differs greatly from the value calculated from known thermodynamic quantities. Predictions based on Matsubara’s anharmonic formalism are not in accord with the behavior observed at the highest temperatures.

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