Abstract
An ab initio linear augmented-plane-wave (LAPW) calculation of the zone-center phonon frequencies of SnO has been performed. ${E}_{g}$ symmetry has been ascribed to the mode observed at $113 {\mathrm{cm}}^{\ensuremath{-}1}$ in Raman measurements, discarding a previous ${B}_{1g}$ assignment. The other phonon modes measured by Raman spectroscopy are also well reproduced. A shell model has also been developed that gives good agreement of the zone-center frequencies compared to the measured data and the LAPW results. Specific-heat measurements have been performed between 5 and 110 K. Computation of the specific heat and the M\"ossbauer recoilless fraction with the improved shell model shows a good agreement with the experimental data as a function of temperature.
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