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聚乙炔的链端定域态
引用本文:庞小峰,严明,李勤,孙鑫.聚乙炔的链端定域态[J].复旦学报(自然科学版),1987(2).
作者姓名:庞小峰  严明  李勤  孙鑫
作者单位:四川师范大学固体物理研究所 (庞小峰),复旦大学物理学系 (严明,李勤),复旦大学物理学系(孙鑫)
摘    要:本文用格林函数研究了聚乙炔的链端附近的电子态.计算了链端为单键或双键时可能出现的链端定域态,其结果是:单键链端可形成链端定域态,其能级位于能隙中央,定域范围约为10个原子,实际上是一个链端孤子;双键链端则不存在这种定态域.

关 键 词:聚乙炔  单键  双键  定域态  链端孤子

THE LOCALIZED STATES NEAR THE END OF THE POLYACETYLENE CHAIN
Pang Xiaofeng.THE LOCALIZED STATES NEAR THE END OF THE POLYACETYLENE CHAIN[J].Journal of Fudan University(Natural Science),1987(2).
Authors:Pang Xiaofeng
Abstract:The electronic states near the end of polyacetylene chain are studied by the Green function method for the single bond or double bond in the end. the results show that, in the case of single bond there exicts a localized state, which level sits in the center of the gap, and its wave function extends about 10 atoms, in fact it is the end soliton; but there is no such localized state in the case of double bond.
Keywords:polyacetylene  single bond  double bond  localized state  end soliton    
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