FU ROU-LI (傅柔励)a, YE HONG-JUAN (叶红娟)a, FU RONG-TANG (傅荣堂)b, GHEN ZEANG (陈樟)b, SUN XIN (孙鑫)b
a National Laboratory of Infrared Physics, Academia Sinica, Shanghai 200083, China; b Department of Physics, Fudan University, Shanghai 2004334; Laboratory of Structure Analysis, University of Science and Technology of China, Hefei 230026, China
Abstract In the alkali-metal doped C60, the charge transfer induces the distortion of the bond structure and forms the self-trapping electronic bound states. Our theory manifests: 1, the charge transfer reduces the symmetry of C60 from Ih to D5d. 2, Both the bond distortion and the self-trapping states possess layer structures and are localized in the equatorial area. 3, The carbon atoms in charged C60 are divided into eight layers with an inversion center, then there exist four nonequivalent groups of carbon atoms. It makes the NMR line split into a fine structure with strength ratio 1:1:2:2. 4, The charged C60 has two self-trapping bound states, one is 0.06eV above HOMO with odd parity and the other is 0.05 eV below LUMO with even parity.
Received: 18 May 1992
Revised: 14 September 1992
Accepted manuscript online:
Fund: Project supported by the National Natural Science Foundation of China and the Advanced Material Committee.
Cite this article:
FU ROU-LI (傅柔励), YE HONG-JUAN (叶红娟), FU RONG-TANG (傅荣堂), GHEN ZEANG (陈樟), SUN XIN (孙鑫) BOND STRUCTURE AND ELECTRON STATES OF CHARGED C60 1993 Acta Physica Sinica (Overseas Edition) 2 528
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