Abstract
The polarizability exaltation (increase) is typical for oligomers (C60) n . It comprises the superadditive polarizability growth with n. This phenomenon was previously studied only for the molecular models of the (C60) n oligomers. In the present work, we compare the DFT-computed polarizability, obtained for molecules (C60) n and periodic model of quasi-1D covalently-bonded fullerene chains. We found that the increment of the (C60) n mean polarizability growth (95.88 Å3 for n = 6) approaches the value, obtained for the periodic model, 97.49 Å3. According to the periodic computations, polymer (C60) n should be a semiconductor with the direct band gap at the Γ point (the computed energy gap value is 1.41 eV).
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.
