聚乙炔基态的线性和非线性光学极化率  

The Electronic Properties and Nonlinear Optical Susceptibility of Polyethylene in Ground State

作　　者：王亚东[1] 杨建光[1] 程建军[1] 

机构地区：[1]张家口职业技术学院,河北张家口075000

出　　处：《张家口职业技术学院学报》2008年第2期66-70,共5页Journal of Zhangjiakou Vocational and Technical College

摘　　要：基于一维紧束缚Su-Schrieffer-Heeger(SSH)模型,研究了基态聚乙炔的电子特征及其线性和非线性光学极化率。不借助任何外推手段,直接观察到线性极化率和三阶非线性极化率的饱和现象;另据局域原子电荷微分法,每单位元胞对极化率的贡献一部分来自链端极化电荷的扩展,另一部分来自元胞内电荷的极化。Based on the tight - binding Su - Schrieffer - Heeger （SSH） model, we investigated the electronic properties and nonlinear optical susceptibility of polyethylene in ground state. Without any extrapolation, we observed saturation behavior of polarizability and hyberpolarizability for regular polyethylene at long length. Simultaneously, we employed local atomic charge derivatives with the aim to study the contributions of individual parts which can be composed by a） extension of polarization charges in chain ends and b）polarization from charges in cell.

关 键 词：共轭聚合物 聚乙炔 紧束缚模型 非线性光学极化率 

分 类 号：O641.121[理学—物理化学]