摘要
在改进的Ginder-Epstein模型下,得到了碱式聚苯胺的高激发态极化子.同普通极化子对比,它的晶格畸变更宽、更深,带隙中的两个缺陷能级更接近,其理论吸收谱只有一个低能峰(~1.2eV)并且强度提高~60%.取中等强度的电子—芳环扭角耦合,则高激发态极化子的激发能为17.75eV,较普通极化子的激发能提高1.22eV.这些差异为区分两类极化子提供了判据.
Excited polaron in the pernigraniline-base polymer was investigated in an extended Ginder-Epstein model.In comparison with a common polaron,the excited showed some different nature:its lattice relaxasion was wider and deeper;the two gap levels got nearer.In our calculated absorbance for the excited polaron there was only one peak of low energy(~1.2 eV)and its intensity got a rise of ~60%.In the case of medium electron-libron coupling,energy of excitation for an excited polaron was 17.75 eV,which was 1.22 eV higher than that of the common.The facts offered a criterion to distinguish an excited polaron from a common one.
出处
《原子与分子物理学报》
CAS
CSCD
北大核心
2009年第2期219-223,共5页
Journal of Atomic and Molecular Physics
基金
四川省教育厅自然科学重点项目(07ZA095)
关键词
聚合物
电子结构
缺陷能级
极化子
polymer
electronic structure
defect levels
polaron