聚二乙炔链振动谱的研究

A study of the vibrational spectra of polydiacetylenes

将聚二乙炔主链简化为有限的一维复式碳原子链 ,利用经典的晶格动力学方法研究了其色散关系。聚二乙炔链色散关系曲线由一支声学模和三支光学模组成 ,它们在波矢为零处及Brillouinzone(BZ)边界处拉开了间隙 。

In this paper, the polydiacetylenes chain may be simplified as the one-dimensional finite compound lattice model. Using the method of classical lattice dynamics, the dispersion relation of the polydiacetylenes is investigated. The results show that the dispersion curve of polydiacetylenes consists of an acoustic branch and three optical branches which occur the gaps under the wave vector k=0 and the Brillouin zone (BZ) as well, and the difference of the elastic force constants has an effect on the gaps of branches and the bandwidth obviously.