| 电子关联对聚乙炔中双激子湮灭过程的影响 |
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| 引用本文： | 孙书娟,傅军,姚仲瑜,潘孟美. 电子关联对聚乙炔中双激子湮灭过程的影响[J]. 海南师范大学学报(自然科学版), 2011, 24(3) |
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| 作者姓名： | 孙书娟 傅军 姚仲瑜 潘孟美 |
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| 作者单位： | 海南师范大学物理与电子工程学院,海南海口,571158 |
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| 基金项目： | 海南师范大学青年教师基金资助项目(QN0803) |
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| 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.
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| 关 键 词： | 电子关联 聚乙炔 双激子 湮灭 分子动力学 |
Effects of Electron Correlation on Bi-exciton Annihilation in Trans-polyacetylene |
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| SUN Shujuan,FU Jun,YAO Zhongyu,PAN Mengmei. Effects of Electron Correlation on Bi-exciton Annihilation in Trans-polyacetylene[J]. Journal of Hainan Normal University:Natural Science, 2011, 24(3) |
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| Authors: | SUN Shujuan FU Jun YAO Zhongyu PAN Mengmei |
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| Affiliation: | SUN Shujuan,FU Jun,YAO Zhongyu,PAN Mengmei(College of Physics & Electronic Engineering,Hainan Normal University,Haikou 571158,China)(College of Physics & Electronic Engineering,China) |
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| Abstract: | Adding a weak electron correlation to the Su-Schrieffer-Heeger model,we have simulated the annihilationof 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 correlationdoes slow the annihilation process.In the calculation of fast response process of excitons,considering the electron correlation is very necessary. |
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| Keywords: | electron correlation polyacetylene bi-exciton molecular dynamics annihilation |
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