Theoretical Compton profiles due to valence electrons of Ti and TiH₂

The authors calculate the Compton profiles of Ti and TiH2, due to their valence electrons, along the (100), (110) and (111) directions, based on self-consistent augmented plane-wave functions. They present the main theoretical points of the method and the Compton profiles of Ti (FCC), Ti (BCC) and TiH2 (CaF2 structure), as well as their directional anisotropies. The average Compton profile of Ti (FCC) is in good agreement with available experiments for Ti (HCP). The introduction of hydrogen in forming TiH2 causes remarkable changes in the Compton profiles.