Vibronic dephasing model for coherent-to-incoherent crossover in DNA
Vibronic dephasing model for coherent-to-incoherent crossover in DNA
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DOI：
10.1103/physrevb.97.195401
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发表时间：
2018-02
影响因子：
3.7
通讯作者：
Patrick Karasch;D. Ryndyk;T. Frauenheim
中科院分区：
文献类型：
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作者：
Patrick Karasch;D. Ryndyk;T. Frauenheim
在这项工作中，我们研究了在胞嘧啶鸟嘌呤（GC）丰富的DNA分子的相干和非相干电荷输运之间的相互作用。我们的目标是介绍物理接地的方法，在大分子中的退相，并了解长度依赖的电荷输运特性，特别是在不同温度下从相干隧穿到非相干跳跃制度的交叉。因此，我们应用电子振动退相模型，并比较结果的B\“uttiker探针模型，这是通常用来描述退相干效应的电荷输运。使用完整的梯形模型和简化的一维模型的DNA，我们认为交替和堆叠GC序列的分子结，并比较我们的结果最近的实验测量。
In this work we investigate the interplay between coherent and incoherent charge transport in cytosine-guanine (GC) rich DNA molecules. Our objective is to introduce physically grounded approach to dephasing in large molecules and to understand the length dependent charge transport characteristics and especially the crossover from coherent tunneling to incoherent hopping regime at different temperatures. Therefore, we apply the vibronic dephasing model and compare the results to the B\"uttiker probe model which is commonly used to describe decoherence effects in charge transport. Using the full ladder model and simplified 1D model of DNA, we consider molecular junctions with alternating and stacked GC sequences and compare our results to recent experimental measurements.