双链螺旋结构中定域到离域的转变：构象、横向电场和动力学的影响
Localization to delocalization transition in a double stranded helical geometry: Effects of conformation, transverse electric field and dynamics
摘要：
首次以双链螺旋结构（DSHG）为例，研究了电场作用下构象对电子局域化的影响。在存在电场的情况下，DSHG表现得像一个相关的无序系统，其位置电位以余弦形式调制，如众所周知的Aubry-Andre-Harper（AAH）模型。可以通过改变入射场的方向来进一步调制电势分布。在DSHG的链间跳跃积分中也引入了类似的余弦调制。适当地调整电场的方向，我们可以获得完全扩展的能量本征态或完全局域的能量本征态或两者的混合。研究了短程和长程跳跃积分以及手征对局域化的影响。最后，我们考察了螺旋动力学的作用，使模型更符合实际。螺旋几何形状和电场之间的相互作用可以揭示电子局域化的几个显著特征，并且可以通过使用不同的手性分子来验证。
英文摘要：
Conformational effect on electronic localization is critically investigated for the first time considering a double-stranded helical geometry (DSHG) subjected to an electric field. In the presence of electric field the DSHG behaves like a correlated disordered system whose site potentials are modulated in a cosine form like the well known Aubry-Andre-Harper (AAH) model. The potential distribution can be modulated further by changing the orientation of the incident field. A similar kind of cosine modulation is also introduced in the inter-strand hopping integrals of the DSHG. Suitably adjusting the orientation of the electric field, we can achieve fully extended energy eigenstates or completely localized ones or a mixture of both. The effects of short-range and long-range hopping integrals along with the chirality on localization are thoroughly studied. Finally, we inspect the role of helical dynamics to make the model more realistic. The interplay between the helical geometry and electric field may open up several notable features of electronic localization and can be verified by using different chiral molecules.
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