Electronic structure of CdMoO4 using Compton scattering technique

Abstract

The first ever Compton profile of polycrystalline CdMoO4 has been measured using 137Cs spectrometer. The results are compared with theoretical Compton profiles deduced from free atom and linear combination of atomic orbitals (LCAO) methods. We have also computed the energy bands using density functional theory (DFT) within LCAO. The computed bands confirm the semiconducting behaviour of this compound. It is seen that the DFT theoretical profile (with local density approximation) gives a better agreement with the experimental Compton data than free atom Compton profile.