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聚二乙炔(polydiacetylene)的基态及极化子和双极化子激发态 被引量：2

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摘要 建立了描述基态非简并聚合物聚二乙炔(polydiacetylene)的紧束缚模型.研究了基态和带电激发态下的电子性质.发现聚二乙炔基态下具有稳定的二聚化结构,其能带分为四条子带,对应于聚二乙炔链的四周期结构.掺杂电荷时可形成极化子和双极化子非线性元激发,计算了相应的产生能和束缚能,发现在不考虑电子-电子Coulomb相互作用的情况下,双电荷掺杂时产生双极化子比产生两个极化子更加稳定,在双极化子中晶格畸变对掺杂电荷的定域束缚程度远远大于极化子中.
作者 李元 胡贵超 夏蔡娟 刘德胜 解士杰
机构地区 山东大学物理与微电子学院
出处 《中国科学（G辑）》 CSCD 2006年第5期496-504,共9页
基金 国家自然科学基金(批准号:10574082 10474056 90403110 50323006) 山东省自然科学基金(批准号:Z2005A01)资助项目
关键词 二聚化 极化子 双极化子 束缚能
分类号 O631.1 [理学—高分子化学]
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参考文献27

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共引文献1

同被引文献27

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引证文献2

中国科学（G辑）
2006年 第5期

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