Abstract
Pseudopotential and local density functional theory calculations on the electronic structure and geometry have been carried out for the ( Al 12 B) Li solid where an Al 12 B cluster and a Li atom served as the building blocks of the material. Our results show that ( Al 12 B) Li in the CsCl structure will eventually be an aluminum-like metal when the lattice parameter of the solid and the atomic geometry of the clusters are optimized by the crystal field. The packed clusters of Al 12 B tend to have a cuboctahedral geometry.
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.
