悬浮纳米带中的波纹不稳定性
Rippling Instabilities in Suspended Nanoribbons
摘要：
形态介导的结构和电子输运之间的相互作用，在原子级薄的纳米带，如石墨烯的边缘应力的松弛发生优先通过面外偏转。在我们在这里研究的末端支撑悬浮纳米带的情况下，过去的实验和计算已经确定了一系列的平衡形态，特别是石墨烯薄片，但对其相对稳定性的统一理解仍然难以捉摸。在这里，我们采用原子尺度的模拟和基于各向同性弹性板理论的复合框架，绘制出悬浮纳米带的形态稳定性空间相对于内在（带状弹性）和工程（带状几何形状）参数，以及边缘和身体驱动的组合。计算突出了一个丰富的形态形状空间，可以自然地分为两个竞争的形状，弯曲状和扭曲状，这取决于整个相互作用的边缘的波纹的分布。线性化的弹性框架产生这些波纹形状的精确解。对于压缩边缘应力，体应变作为控制其相对稳定性的关键变量出现，并且在极端情况下稳定共存的横向波纹。拉伸边缘应力导致带芯内的凹窝，凹窝衰减到边缘，这是可拉伸纳米电子学的明显重要特征。几何和力学之间的相互作用，我们报告应作为一个关键的输入，量化沿这些带状运输。
英文摘要：
Morphology mediates the interplay between the structure and electronic transport in atomically thin nanoribbons such as graphene as the relaxation of edge stresses occurs preferentially via out-of-plane deflections. In the case of end-supported suspended nanoribbons that we study here, past experiments and computations have identified a range of equilibrium morphologies, in particular for graphene flakes, yet a unified understanding of their relative stability remains elusive. Here, we employ atomic-scale simulations and a composite framework based on isotropic elastic plate theory to chart out the morphological stability space of suspended nanoribbons with respect to intrinsic (ribbon elasticity) and engineered (ribbon geometry) parameters, and the combination of edge and body actuation. The computations highlight a rich morphological shape space that can be naturally classified into two competing shapes, bending-like and twist-like, depending on the distribution of ripples across the interacting edges. The linearized elastic framework yields exact solutions for these rippled shapes. For compressive edge stresses, the body strain emerges as a key variable that controls their relative stability and in extreme cases stabilizes co-existing transverse ripples. Tensile edge stresses lead to dimples within the ribbon core that decay into the edges, a feature of obvious significance for stretchable nanoelectronics. The interplay between geometry and mechanics that we report should serve as a key input for quantifying the transport along these ribbons.
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