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物理学报  1992 

EFFECTS OF HUBBARD INTERACTION AND SITE-TYPE IMPURITY POTENTIAL ON ELECTRONIC STATES IN TRANS-POLYACETYLENE
Hubbard电子强关联与site-type杂质势对反式聚乙炔电子态的影响

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Abstract:

In this paper, the SSH mode] has been extended to include the site-type impurity potential and the Hubbard interaction. The energy spectra and the electronic states of soliton in transpolyacetylene have been studied by the self-consistent iterative approach. Our numerical calculations have shown that the important differences in the effects of impurity potential and Hubbard interaction on electronic states of soliton. Namely, the site-type impurity potential is to shift the midgap states of the charged solitons in the opposite direction with Hubbafd interaction. Our conclusion are coincident with experimental results

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