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量子几何势诱导弹性螺旋纳米带的构象转变

Quantum geometric potential induced conformational transitions in elastic helical nanoribbons

Radha Balakrishnan, Rossen Dandoloff, Avadh Saxena

arXiv 2607.29623首次发表:更新:

AI 中文总结

该研究探讨弹性螺旋纳米带的构象转变,通过修正Canham-Helfrich模型结合量子几何势,发现注入电子可使纳米带从任意构象转变为法线带构象,明确了$R_H$对量子几何势及局域态的影响。

AI 中文摘要

我们研究可呈现多种构象的弹性螺旋纳米带,并探讨在其曲面上放置量子粒子产生的效应。采用修正的Canham-Helfrich模型描述弹性势能,我们根据纳米带的弯曲刚度、平均曲率$M$和高斯曲率$K$写出其局域弹性势能。利用da Costa公式推导被约束在刚性曲面上的粒子的薛定谔方程,该方程包含仅依赖$M$和$K$的纯量子几何势。因此,被置于弹性曲面上的粒子的薛定谔方程的总势能由量子势和弹性势共同构成。我们计算螺旋纳米带的$M$和$K$,推导得出依赖于构象、具有几何性质的总势能。定义无量纲量$R_H$,研究总几何势随$R_H$变化的行为。在无电子时,所有构象的弹性势能均为正且仅存在一个正最大值;其中双法线螺旋带构象的势能最低,法线带构象的势能最高,中间构象的势能介于两者之间。值得注意的是,当在弹性纳米带上放置量子粒子时,$R_H$超过某一临界值后,量子几何势会反转上述势能顺序,但此时不支持粒子的局域态;仅当$R_H$超过第二个临界值时,所有构象才会出现粒子的局域态。向弹性纳米带的任意构象注入电子,将诱导其发生构象转变,变为法线带构象。

英文摘要

We consider an {\em elastic} helical nanoribbon that can take on various conformations, and study the effect of placing a quantum particle on its curved surface. Using a modified Canham-Helfrich model for the elastic energy, we write down the local elastic potential for the ribbon in terms of its bending rigidity, mean curvature $M$ and Gaussian curvature $K$. The Schrödinger equation of a particle confined to a {\em rigid} curved surface is found using da Costa's formulation. It has a purely quantum geometric potential which depends on $M$ and $K$. The Schrödinger equation of a particle on an {\em elastic } curved surface will therefore have a total potential comprising quantum and elastic potentials. We compute $M$ and $K$ for a helical ribbon and derive the total potential which depends on the conformation and is thus geometric in nature. Defining a dimensionless quantity $R_H$, we study the behavior of the total geometric potential as $R_H$ is varied. In the absence of an electron, the elastic potential is positive and has a single positive maximum for all conformations. Further, a binormal helical ribbon conformation has the lowest potential, while the normal ribbon has the highest, with those of the intermediate ribbons lying in between these. Intriguingly, when a quantum particle is placed on the elastic ribbon, above a certain critical value of $R_H$, the presence of the quantum geometric potential {\em reverses} this order. But localized states for the particle are not supported. Only above a second critical value of $R_H$, localized states appear for all conformations. The injection of an electron on {\it any} given conformation of the elastic ribbon will induce a conformational transition to the normal ribbon conformation.

Comments22 pages, 3 figures

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