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Computer simulation of the AFM/LFM imaging process: Hexagonal versus honeycomb structure on graphite

机译:AFM / LFM成像过程的计算机模拟:石墨上的六角形与蜂窝结构

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摘要

Although the atoms in cleavage planes of graphite are arranged in a honeycomb structure, it is well known from experimental work that atomic force microscopy (AFM) yields a hexagonal structure, a phenomenon that has not been understood so far. Here, computer simulations of the atomic-scale imaging process on graphite by AFM are reported, showing that this behaviour can be explained within a simple model of elastic tip-sample interaction. Both the topographic (AFM) images and the friction force or lateral force microscopy (LFM) images were simulated as a function of the scanning direction relative to the graphite lattice and as a function of the cantilever force constant. The scan distortions and the skipped area due to the AFM/LFM imaging process were evaluated. Simulations were performed both in the presence and in the absence of atomic-scale stick-slip processes. It is shown that neither stick-slip processes nor an inequivalence of the A- and B-sites of graphite is necessary to generate a hexagonal AFM image when scanning an atomic honeycomb structure. Rather, the simulations demonstrate that due to the two-dimensional elastic lateral displacement of the cantilever, the potential maxima - which correspond to the positions of the honeycomb lattice - are avoided by the scanning path of the tip apex, resulting in a hexagonal structure of the APM and LFM images. (C) 1997 by John Wiley & Sons, Ltd.
机译:尽管石墨的裂解平面中的原子排列成蜂窝结构,但从实验工作中众所周知,原子力显微镜(AFM)产生六边形结构,这种现象到目前为止还没有被理解。在此,报道了通过原子力显微镜对石墨进行原子级成像过程的计算机模拟,表明该行为可以在弹性尖端-样品相互作用的简单模型中得到解释。地形图(AFM)图像和摩擦力或横向力显微镜(LFM)图像均根据相对于石墨晶格的扫描方向以及悬臂力常数进行了模拟。评估了由于AFM / LFM成像过程而引起的扫描失真和跳过区域。在存在和不存在原子级粘滑过程的情况下均进行了仿真。结果表明,扫描原子蜂窝结构时,既不需要粘滑过程也不需要石墨的A和B位点不等价即可生成六边形AFM图像。相反,仿真表明,由于悬臂的二维弹性侧向位移,尖端顶点的扫描路径避免了对应于蜂窝晶格位置的电势最大值,从而形成了六边形结构。 APM和LFM图像。 (C)1997年,John Wiley&Sons,Ltd.

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