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Hubbard电子强关联与site-type杂质势对反式聚乙炔电子态的影响

贾荣谊 阎立根

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Hubbard电子强关联与site-type杂质势对反式聚乙炔电子态的影响

贾荣谊, 阎立根

EFFECTS OF HUBBARD INTERACTION AND SITE-TYPE IMPURITY POTENTIAL ON ELECTRONIC STATES IN TRANS-POLYACETYLENE

JIA RONG-YI, YAN LI-GEN
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  • 本文在苏武沛、Schrieffer和Heeger(SSH)模型的基础上,分别考虑site-type杂质势和Hubbard电子强关联的作用,计算了反式聚乙炔链的电子能谱、本征矢和序参量。结果发现,杂质势对孤子有较强的钉扎作用,它破坏了电子能谱对称性,并使midgap态发生移动,这与Hubbard电子强关联对孤子能级的影响根本不同。值得指出的是,只有同时考虑site-type杂质势和Hubbard相互作用,才能对聚乙炔的掺杂光吸收实验做出正确的理论解释。
    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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出版历程
  • 收稿日期:  1991-10-04
  • 修回日期:  1992-01-27
  • 刊出日期:  2005-07-03

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