The effect of the electron-phonon coupling on single-layer Buckyonions

【摘要】 <正> The electronic and the geometric structures of the metallic and the semiconducting carbon onions are studied. Taking into account the electron-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 reduced, while those of semiconducting onions are not. The distortions of the structures decrease as the number of carbon atoms increases. The dimerization patterns of these onions are also presented.更多还原

【Abstract】 The electronic and the geometric structures of the metallic and the semiconducting carbon onions are studied. Taking into account the electron-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 reduced, while those of semiconducting onions are not. The distortions of the structures decrease as the number of carbon atoms increases. The dimerization patterns of these onions are also presented.更多还原