摘要
在Su-Schrieffer-Heeger（SSH）模型基础上，计入弱电子关联的影响，研究聚乙炔单线态和三线态两类激子的行为．与单线态相比，三线态激子能级自旋简并丧失，能隙增大，电荷密度振荡局域分布以及自旋密度波产生，三线态激子吸收谱的相应特征峰发生～0．1eV蓝移并且强度增加～40％．这些差异为区分两类激子提供了磁共振实验之外的判据．
Adding a term of weak electronic correlation to the Su-Schrieffer-Heeger（SSH）model, we made a self-consistent variation calculation for singlet and triplet excitons in trans-polyacetylene. Compared with singlet exciton, the triplet showed some different nature. Its spin degeneracy lost; energy gap increased; the density of charge oscillated： the spin density wave emergenced and the calculated exciton absorbance for the triplet has a blue shift of -800/cm. and its intensity raise -40% with respect to the singlet. The facts offered a criterion to distinguish the two kinds of excitons, besides magnetism resonance experiments.
出处
《原子与分子物理学报》
CAS
CSCD
北大核心
2006年第4期645-650,共6页
Journal of Atomic and Molecular Physics
基金
四川省教育厅重点科研项目(2002A087)
四川省科技厅应用基础研究项目(02GY029-192)
关键词
电子关联
单线态
三线态
吸收谱
Electronic correlation, singlet, triplet, absorbance
