侧基取代与非线性电声耦合对极化子动力学性质的影响.pdfVIP

Abstract Based on the one-dimensional tight-binding SSH model, and by using a nonadiabatic molecular dynamic method, we studied the effects of side radicals、impurities and nonlinear electron-lattice interactions on polarons in the polymers: 1. There just has the linear interaction of the electron-lattice in SSH model, which depends on the change of the bond length. But the elastic potential energy of the lattice depends on the square order of the bo