Abstract
The valence electron charge density of C 6Li has been evaluated from a knowledge of the band structure and is presented along various directions in the crystal. The results illustrate the large anisotropy of this material. It is difficult to quantify a degree of ionization. However, the following qualitative picture emerges. The highest occupied states originate from the π-bands of graphite. These are spatially concentrated near the graphite layers with peak densities approximately 1 Å from the centers of the layers. Occupied low-lying bonding bands hybridize with the metal band so that the valence density of C 6Li has an s-wave-like cusp at each Li nucleus.
Sign-in/Register to access full text options 
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.
