| 用二维复式晶格有限集团模型计算聚乙炔的电子结构 |
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| 引用本文： | 杨慧.用二维复式晶格有限集团模型计算聚乙炔的电子结构[J].原子与分子物理学报,2002,19(4):411-416. |
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| 作者姓名： | 杨慧 |
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| 作者单位： | 浙江大学物理系,杭州,310027;贵州毕节师专物理系,毕节,551700 |
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| 摘 要： | 以二维复式晶格作为有限系统的集团模型,在紧束缚近似下,计算了π电子在最近邻及次近邻跳跃集团的态密度.讨论了不同结构参数对态密度及带宽的影响.
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| 关 键 词： | 聚乙炔 复式晶格 集团 态密度 电子结构 |
| 文章编号： | 1000-0364(2002)04-0411-06 |
| 收稿时间： | 2002/4/25 |
| 修稿时间： | 2002年4月25日 |
Electron structure calculation of polyacetylene with the model of the two-dimensional compound lattice finite clusters |
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| YANG Hui.Electron structure calculation of polyacetylene with the model of the two-dimensional compound lattice finite clusters[J].Journal of Atomic and Molecular Physics,2002,19(4):411-416. |
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| Authors: | YANG Hui |
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| Affiliation: | YANG Hui 1,2 |
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| Abstract: | In the paper, the two dimensional finite compound lattice are taken as the model of clusters. The tight binding approximation is used to calculate the densities of the states for the nearest neighbour and the second neighbour hopping of π electron. The different structural parameters effect on the densities of the states and the band width are discussed. |
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| Keywords: | Polyacetyene compound lattice Cluster Density of the states Electron structure |
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