Abstract
The present work consists of an attempt to treat hydrogen in metals on a fundamental level. Starting with the full many-body hamiltonian we derive a one-electron Schrödinger equation. The ground state solution represents the electronic structure of interstitial hydrogen, and the corresponding eigen-value acts as a potential for the proton movement and determines the forces exerted on the neighbouring ions (Kanzaki forces). The self-consistent reaction of the host lattice results in the displacement field and the equilibrium energy. We give as an example the calculation of a single hydrogen atom in magnesium.
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.