C60with O defects: localized states in the gap and oxygen clustering

1992/05/28 by Kikuo Harigaya, K Harigaya
Chemistry · Materials Science · Physics and Astronomy · #Advanced Physical and Chemical Molecular Interactions #Chemical and Physical Properties of Materials #Fullerene Chemistry and Applications #cond-mat

paper · pdf · doi:10.1088/0953-8984/4/32/013

published as J.Phys.Condens.Matter 4 (1992) 6769-6774 · 10 pages. To be published in J. Phys.: Condens. Matter; received March 5 1992

arxiv created 1992/05/28 · openalex publication_date 1992/08/10 · arxiv updated 2009/11/30 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/30

Abstract

The author proposes a Su-Schrieffer-Heeger-type electron-phonon model for C 60 with O defects and solve it by using the adiabatic approximation. Two new properties are obtained: (i) the dimerization becomes weaker around the oxygen, two localized states appear deep in the gap, and optical transition between them is allowed-this accords with the recent optical absorption data; (ii) oxygens are predicted to cluster on the surface of C 60 .

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