Measurement of Compton profiles and band structure calculations

The band structure calculations help in studying several properties like density of states, Fermi surface topology, X-ray form factors, momentum densities and Compton profiles, etc. There are various methods for these band structure calculations. The main objective of the present work is to study the electronic structure of some compounds and transition metals through their electron momentum density. To fulfil the objectives, 20 Ci 137Cs and 100 mCi 241Am based Compton spectrometers which were available in the Compton profile laboratory, MLSU, Udaipur have been employed. The data acquisition system (HP Ge Detector and associated electronics like High Voltage Power Supply, Spectroscopy Amplifier, Analog to Digital Converter, Multichannel-Analyser, etc.) along with computational facilities, as available in Compton profile laboratory, were used to extract the true Compton profiles from the raw data. Electronic band structure calculations were performed using full-potential linearised augmented plane wave (FP-LAPW) and LCAO methods, to interpret the experimental data on electron momentum density.