ANOMALOUS INELASTIC NEUTRON-SCATTERING FROM CALCITE

Inelastic neutron scattering measurements on calcite (CaCO3) in its low temperature phase have revealed the existence of an unusual column of inelastic scattering at the wavevector corresponding to the F point of the high temperature Brillouin zone. At the same wavevector there is also a transverse acoustic soft mode and the column of scattering ranges in energy from zero up to the soft mode. The intensity of the anomalous scattering increases rapidly with temperature, and is consistent with an Arrhenius relation of the form exp(-T*/T), where T* = 1035 K. We speculate that this scattering arises from thermal fluctuations of the calcite structure into a different ordered structure, which is related to an ordering instability at the F point. Evidence for this possibility has also been obtained from lattice energy calculations.