Abstract
The electronic structure and chemical bonding in nonstoichiometric hydrides of Ti and Zr are studied by the semi-empirical SCF MO LCAO method. The influence of the hydrogen vacancy concentration and tetragonal distortions of the crystal lattice on the electronic energy spectrum is considered. The results obtained are compared with the band structure calculations and experimental X-ray emission and photoelectron spectra.
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.