分子动力学模拟Si(001)表面的亚原子成像

Yingchun Liang, J. Dou, Q. Bai, Shumei Wang, Mingjun Chen, Yan Zhao, S. Dong
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引用次数: 0

摘要

在这项研究中,我们使用经验电位分子动力学方法预测了调频原子力显微镜(FM-AFM)的Si(001)表面亚原子频移图像。我们建立了碳单壁纳米管包覆尖端和Si(001)表面的模型来研究尖端-表面的相互作用。仿真结果表明,FM-AFM成像力主要来源于C-Si/C-C化学共价键力;远距离非键范德华力很小,可以忽略不计
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Subatomic Imaging of Si (001) Surface by Molecular Dynamic Simulation
In this study we predict the frequency modulation atomic force microscopy (FM-AFM) subatomic frequency shift images of a Si (001) surface using empirical potential molecular dynamic methods. We model carbon single-wall nanotube caped tip and Si (001) surface to investigate the tip-surface interaction. The simulation shows that the FM-AFM imaging force mainly comes from C-Si/C-C chemical covalent bonding forces; the long range nonbond van der Waals forces are slight and can be ignored
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