Electronic structure of rhodium using Compton profiles: Experiment and theory

The Compton profiles of Rh along [1 0 0] and [1 1 0] directions are measured using 100 mCi 241Am Compton spectrometer. To compare the experimental data, we have computed the Compton profiles and energy bands using spin-polarised relativistic Korringa–Kohn–Rostoker (SPR-KKR) and density functional theory schemes. The experimental and theoretical data are also compared with the available augmented plane wave and linear combination of Gaussian orbitals calculations. The origin of anisotropy in the momentum densities is discussed in terms of the energy bands and the Fermi surface topology. Among the various model calculations, it is seen that the KKR calculations are in better agreement with the absolute profiles but they significantly overestimate the anisotropy in momentum densities.