外电场对材料电子结构的影响  

Investigation the Electronic Properties of a Conjugated Polymer Response to Electric Fields

作　　者：周玉芳[1] 庄德新[1] 

机构地区：[1]山东大学物理与微电子学院,山东济南250100

出　　处：《北京理工大学学报》2005年第z1期270-272,共3页Transactions of Beijing Institute of Technology

基　　金：山东省自然科学基金资助项目(Y2002A06)

摘　　要：导电聚合物材料因其具备的研究和应用价值而备受人们的关注,这类材料存光、电、磁等诸多领域已显 示出其独特的优势,可在许多实际应用中取代传统的金属和非金属材料,导电聚合物因此而成为国际上材料研究 和应用领域的一个热点．文中采用量子化学计算中的间略微分重叠哈密顿以及组态相互作用方法,通过对一段聚 合物材料分子链在外电场作用下电子结构的变化、电荷转移行为等现象的研究,分析了影响其物理性质的因素, 寻找了微观结构与宏观性质之间的相互联系,为材料的实际应用提供理论依据．The organic π-conjugated polymers are of major interest materials for their potential applications in optical and electronic fields. They can be expected to replace metal, nonmetal and be prepared to form some devices. In this paper, the electronic structures, charge transfer of a conjugated polymer response to electronic fields has been investigated by using the quantum chemistry empirical method. The relationship of electronic properties and the molecular structure was explained. The results would provide a theoretical basis for the conjugated polymers in practical applications.

关 键 词：导电聚合物 电子结构 电荷转移 INDO 

分 类 号：O48[理学—固体物理]