Abstract
From the recent information on the neutron scattering data of phonon dispersions, we have established an eleven parameter rigid-ion model to understand the vibrational properties of both perfect and imperfect HgSe. Model calculations for the lattice dynamics, frequency spectrum, and the temperature dependence of the specific heat are shown to be in very good agreement with the recent experimental measurements. Our Green’s function calculations suggests that the possibility of a gap mode (due to Hg in HgSe) for the observed anomalous structure in infrared reflectivity experiments near ∼110 cm−1 cannot be completely ruled out. More optical (infrared and Raman) experiments regarding the influence of uniaxial compression are very much needed to help at least in assigning the symmetry of the defect center involved in the observed behavior.
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