LOW-ENERGY EXCITATIONS OF NEUTRAL C60

被引:21
作者
SALKOLA, MI
机构
[1] Theoretical Division, Los Alamos National Laboratory, Los Alamos
来源
PHYSICAL REVIEW B | 1994年 / 49卷 / 06期
关键词
D O I
10.1103/PhysRevB.49.4407
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Low-energy excited states of a neutral C60 molecule are studied in detail. The system is described by a Su-Schrieffer-Heeger Hubbard-type Hamiltonian which is solved perturbatively in the electron-electron interactions. The optical-absorption spectrum is computed including both the direct and one-phonon-induced processes. Electronic-correlation effects are qualitatively important and, if and only if the electron-electron interaction is taken to be large enough, good agreement with experiments is achieved. Furthermore, it is shown that, in this model, the lowest-energy spin-triplet state is stable against decay due to a large Coulomb binding. Also, the theory predicts a triplet-triplet band about at 0.45 eV which, to my knowledge, has not yet been observed experimentally.
引用
收藏
页码:4407 / 4410
页数:4
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