顺式聚乙炔中双极化子的新电子定域态

本文用自洽迭代的方法研究了顺式聚乙炔cis-(CH)_x_中双极化子的电子能谱.结果发现,除了禁带中两个在连续模型中存在的深能级电子束缚态外, 还存在一些浅能级的电子束缚态.它们形成分立的能级, 并分别位于导带的顶部和底部以及价带的顶部和底部. 这些电子态的定域程度随着电子晶格祸合参数又及电子相互作用U的不同而变化.关键词：

NEW LOCALIZED ELECTRONIC STATES OF Bi-POLARON IN cis-(CH)_x_

We have studied the energy spectra and the electronic states of Bi-polaron in cis-(CH)_x_ with SSH-Hubbard model by using a selfconsistent approach. Four new localized electronic states are discovered. They form four discrete levels outside the conduction and valence bands: two locates near the bottom and the top of the conduction band, the other two near the valence band. The e-h symmetry is destroyed by the e-e interaction. And these localized electronic states vary with the coupling constant and the Hubbard e-e interaction parameter U.
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