Abstract
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.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.