Abstract
Uranium hydride is a novel hydrogen-rich system which contains 5f electrons. Uranium hydride can not only be used in the nuclear fuel industry, but also be a candidate of high superconducting-temperature materials. In this paper, we have searched the stable uranium hydride structures by using particle swarm optimization method and first-principles calculations. Besides UH8 and UH9, we find that UH17, which contains larger hydrogen content than most hydride materials reported before, is also stable at high pressure. The atomic structures, electronic structures and phase diagram of uranium hydrides are provided, and we find that all of the discovered uranium hydrides are metals with negligible magnetic moments.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: 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.
