电子关联对聚乙炔中双激子湮灭过程的影响  

Effects of Electron Correlation on Bi-exciton Annihilation in Trans-polyacetylene

作　　者：孙书娟[1] 傅军[1] 姚仲瑜[1] 潘孟美[1] 

机构地区：[1]海南师范大学物理与电子工程学院,海南海口571158

出　　处：《海南师范大学学报（自然科学版）》2011年第3期288-292,共5页Journal of Hainan Normal University（Natural Science）

基　　金：海南师范大学青年教师基金资助项目(QN0803)

摘　　要：在SSH哈密顿基础上引进弱电子关联,对反式聚乙炔链中双激子的湮灭过程实施了分子动力学模拟.电子关联的引入延缓了链中激子的湮灭过程,关联强度U=0eV时,激子的湮灭时间约在t=84fs,计入四个近邻格点上的弱电子关联作用,湮灭时间明显减慢,约为t>100fs.随着弱关联强度的增加,湮灭时间逐渐延长.计算结果表明,在计算有机材料激子快速响应过程中计入电子关联是十分必要的.Adding a weak electron correlation to the Su-Schrieffer-Heeger model, we have simulated the annihilation of a bi-exciton in trans-polyacetylene. It is showed that the weak electron correlation delays the annihilation of bi-exciton, and the relaxation time of annihilating a bi-exciton is prolonged from 84fs to more than 100fs. The weak correlation does slow the annihilation process. In the calculation of fast response process of excitons, considering the electron correlation is very necessary.

关 键 词：电子关联 聚乙炔 双激子 湮灭 分子动力学 

分 类 号：O561.2[理学—原子与分子物理]