Electronic properties and compton profiles of silver iodide

摘要

We have carried out an extensive study of electronic properties of silver iodide in β- and γ-phases. The theoretical Compton profiles, energy bands, density of states and anisotropies in momentum densities are computed using density functional theories. We have also employed full-potential linearized augmented plane-wave method to derive the energy bands and the density of states. To compare our theoretical data, isotropic Compton profile measurement on γ-AgI using 137Cs Compton spectrometer at an intermediate resolution of 0.38 a.u. has been undertaken. The theoretical anisotropies are also interpreted on the basis of energy bands.