DNA分子能带结构及载流子性质研究

Study on the band structures and carriers properties of DNA molecules

采用扩展的紧束缚模型 ,计算了DNA分子的基态及激发态的能带结构及晶格位形 ,探讨了净电荷的布局分布 ,研究了DNA分子中载流子的性质 ,发现极化子是带电的DNA分子所呈现出的主要的元激发 .

An extended tight-binding calculation was adopted to describe the DNA molecules. The ground states, doping states, configurations, electronic distributions and the types of excitations were studied. It was found that the polaron is the main excitation when the DNA molecule was doped.