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Interplay between nanometer-scale strain variations and externally applied strain in graphene

机译:石墨烯中纳米级应变变化与外加应变之间的相互作用

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摘要

We present a molecular modeling study analyzing nanometer-scale strain variations in graphene as a function of externally applied tensile strain. We consider two different mechanisms that could underlie nanometer-scale strain variations: static perturbations from lattice imperfections of an underlying substrate and thermal fluctuations. For both cases we observe a decrease in the out-of-plane atomic displacements with increasing strain, which is accompanied by an increase in the in-plane displacements. Reflecting the nonlinear elastic properties of graphene, both trends together yield a nonmonotonic variation of the total displacements with increasing tensile strain. This variation allows us to test the role of nanometer-scale strain variations in limiting the carrier mobility of high-quality graphene samples.
机译:我们目前进行的分子建模研究分析了石墨烯中纳米级应变变化作为外部施加的拉伸应变的函数。我们考虑了可能是纳米级应变变化基础的两种不同机制:来自底层衬底的晶格缺陷的静态扰动和热波动。对于这两种情况,我们都观察到随着应变的增加,平面外原子位移减小,同时伴随着平面内位移增加。反映石墨烯的非线性弹性特性,这两种趋势共同导致总位移随拉伸应变的增加而发生非单调变化。这种变化使我们能够测试纳米级应变变化在限制高质量石墨烯样品的载流子迁移率中的作用。

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  • 来源
    《Physical review》 |2016年第19期|195438.1-195438.9|共9页
  • 作者单位

    JARA-FIT and 2nd Institute of Physics, RWTH Aachen University, 52074 Aachen, Germany;

    JARA-FIT and 2nd Institute of Physics, RWTH Aachen University, 52074 Aachen, Germany;

    Theoretical Chemistry and Catalysis Research Center, Technische Universitaet Muenchen, Lichtenbergstr. 4, 85747 Garching, Germany;

    Theoretical Chemistry and Catalysis Research Center, Technische Universitaet Muenchen, Lichtenbergstr. 4, 85747 Garching, Germany;

    Theoretical Chemistry and Catalysis Research Center, Technische Universitaet Muenchen, Lichtenbergstr. 4, 85747 Garching, Germany;

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