Zj. Wang et al., THE EFFECT OF THE ELECTRON-PHONON COUPLING ON SINGLE-LAYER BACKYONIONS, Science in China. Series A, Mathematics, Physics, Astronomy & Technological Sciences, 39(1), 1996, pp. 78-84
The electronic and the geometric structures of the metallic and the se
miconducting carbon onions are studied. Taking into account the electr
on-phonon coupling, both classes of onions are found to suffer Peierls
instability. Also, the C-C bonds are dimerized, the binding energies
are increased, and the energy gaps are enlarged. The symmetries of the
geometric and the electronic structures of metallic onions are reduce
d, while those of semiconducting onions are not. The distortions of th
e structures decrease as the number of carbon atoms increases. The dim
erization patterns of these onions are also presented.