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First-principles calculations of the vibrational spectra of one-dimensionalC60polymers
2006
Physical Review B
Preserved Fulltext
The vibrational properties of several C 60 dimers belonging to the Stone-Wales rearrangement sequence ͓described by E. Osawa and K. Honda, Full. Sci. Technol. 4, 939 ͑1996͔͒, along with a trimer and a tetramer isomer are investigated by tight-binding and density functional calculations. The IR absorption bands found by Onoe, Nakayama, Aono and Hara ͓Appl. Phys. Lett. 82, 595 ͑2003͔͒ in the spectra of electron-beam irradiated C 60 films are explained and attributed mainly to surface vibrations
doi:10.1103/physrevb.74.195426
fatcat:2vo6ahcoevgxhhctp7e2oyskmy