Gao Xu-Tuan, Fu Xue, Mei Liang-Mo, Xie Shi-Jie
School of Physics and Microelectronics, Shandong University, Jinan 250100, China.
J Chem Phys. 2006 Jun 21;124(23):234702. doi: 10.1063/1.2209238.
The electrical transport of DNA is closely related to the density of itinerant pi electrons because of the strong electron-lattice interaction. The resistivities of two typical DNA molecules [poly(dG)-poly(dC) and lambda-DNA] with varied densities of itinerant pi electrons are calculated. It is found that the dependence of the resistivity on the density of itinerant pi electrons is symmetrical about the half-filling state of itinerant pi electrons in poly(dG)-poly(dC). At the half-filling state, the Peierls phase transition takes place and poly(dG)-poly(dC) has a large resistivity. When the density of itinerant pi electrons departs far from the half-filling state, the resistivity of poly(dG)-poly(dC) becomes small. For lambda-DNA, there is no Peierls phase transition due to the aperiodicity of its base pair arrangement. The resistivity of poly(dG)-poly(dC) decreases with increasing length of the molecular chain, but the resistivity of lambda-DNA increases with increasing length. The conducting mechanisms for poly(dG)-poly(dC) and a few lambda-DNA molecules with varied densities of itinerant pi electrons are analyzed.
由于强烈的电子-晶格相互作用,DNA的电输运与巡游π电子的密度密切相关。计算了具有不同巡游π电子密度的两种典型DNA分子[聚(dG)-聚(dC)和λ-DNA]的电阻率。结果发现,在聚(dG)-聚(dC)中,电阻率对巡游π电子密度的依赖关系关于巡游π电子的半填充态呈对称。在半填充态时,发生派尔斯相变,聚(dG)-聚(dC)具有较大的电阻率。当巡游π电子密度远离半填充态时,聚(dG)-聚(dC)的电阻率变小。对于λ-DNA,由于其碱基对排列的非周期性,不存在派尔斯相变。聚(dG)-聚(dC)的电阻率随分子链长度的增加而降低,但λ-DNA的电阻率随长度的增加而增加。分析了聚(dG)-聚(dC)和几种具有不同巡游π电子密度的λ-DNA分子的导电机制。