顺式聚乙炔中的次近邻电子相互作用  

Next-neighbour Hopping Interactions in Cis-Polyactyline

作　　者：谢尊[1] 安忠[2] 张迎涛[1] 李有成[1] 

机构地区：[1]河北工业大学材料学院,天津300130 [2]河北师范大学物理学院,河北石家庄050016

出　　处：《河北工业大学学报》2005年第2期1-4,共4页Journal of Hebei University of Technology

基　　金：国家自然科学基金资助项目(10204005);河北省自然科学基金资助(199181)

摘　　要：采用数值计算的方法,研究了次近邻电子跳跃作用对顺式聚乙炔(Cis-PA)的能谱、电子束缚态和双极化子附近的二维局域振动模的影响.与基本哈密顿的计算结果比较发现:Cis-PA能谱的电子-空穴对称性被解除,与实验结果相吻合;各种激发态的电子束缚态数目发生了改变,双极化子晶格附近的局域模的频率和数目都与次近邻电子跳跃作用有关.s:From the extended two dimensional SSH model, we have studied numerically the effects of next-neighbour hopping interaction on the electron states, excitations and localizedvibrationalmodes in cispolyactylene. Two new modes of bipolaron have found, compared with the results based on the extend 2D SSH model. The spurious eldctron-hole sym- metry of energy band is eliminated, and the number of bound states are changed and their location are shifted.

关 键 词：顺式聚乙炔 次近邻电子跳跃 双极化子 电子束缚态 局域振动模 

分 类 号：O482.3[理学—固体物理]