Abstract

Negative and low thermal expansion materials found applications in various fields. The compound Ag2O shows negative thermal expansion (NTE) behavior up to its decomposition temperature of about 500 K. We have carried out neutron inelastic scattering measurements on a polycrystalline sample of Ag2O. The phonon spectra have been analyzed using ab‐initio calculations. The calculated pressure dependence of the phonon modes are used to calculate the thermal expansion behavior of Ag2O. The calculations show that the low‐energy rotational modes of Ag4O tetrahedra are responsible for the large negative thermal expansion in Ag2O.

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