Abstract
The electronic structure of the dodecahedral Si 20 fullerene obtained in the density-functional theory is discussed. In addition, the Si 46 lattice, which is known to be the real geometry of the Si atoms when crystallized with metal atoms, is pointed out to be essentially solid Si 20, and its geometrical and electronic properties are also discussed. The novel pentagonal bond network in these materials is found to have strong influence on their electronic structure. In the case of Na 2 Ba 6 Si 46, which is the ideal phase of superconducting-doped solid Si 20, the high Fermi-level density of states due to the hybridization between the Ba states and the Si 46 conduction-band states is considered to be important for the observed superconductivity.
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.
