摘要
以二维复式晶格作为有限系统的集团模型 ,利用紧束缚近似 ,在考虑链间耦合及链端效应的情况下 ,计算了格点数分别为 16、32、6 4、12 8时π电子在最近邻及次近邻跳跃集团的能谱和态密度。讨论了不同格点数和结构参数对态密度及带宽的影响。
In the paper, the two-dimensional finite compound lattice are taken as the model of clusters. Under conditions of taking interchain coupling and chain terminal effect into account, the tight-binding approximation is used to calculate the energy spectra and the densities of states for the nearest neighbor and the second-neighbor hopping of π electron when the number of site atoms is 16,32,64 and 128, respectively. The different site atom number and the different structural parameters effect on the density of states and the bandwidth are discussed.
出处
《原子与分子物理学报》
CAS
CSCD
北大核心
2003年第1期45-50,共6页
Journal of Atomic and Molecular Physics
