Abstract
An ab initio study of the structural and electronic properties of the hole-doped C60 has been made by using pseudopotential method in density functional theory in local density approximation. The halogen-doped fullerenes (C60Br3 and C60Cl3) are found to be as stable as the realized alkali-doped fullerenes. The results for the electron density of states (DOS) for pure C60 at Fermi level (EF) containing either holes or electrons calculated in the rigid band approximation are seen to be quite low as compared to those of the self-consistently calculated halogen-doped C60. The present results for DOS for the alkali-doped fullerenes are very close to the other workers. The DOS for the halogen-doped fullerenes is seen to be about 2–3 times higher than those for the electron-doped systems. Experimental efforts are needed to obtain the halogen-doped systems to achieve high value of Tc.
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.
