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Energetic stability, STM fingerprints and electronic transport properties of defects in graphene and silicene

机译：精力充沛的稳定性，石墨烯和硅缺陷的STM指纹和电子传输性能

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摘要

Novel two-dimensional materials such as graphene and silicene have been heralded as possibly revolutionary in future nanoelectronics. High mobilities, and in the case of silicene, its seemingly natural integration with current electronics could make them the materials of next-generation devices. Defects in these systems, however, are unavoidable particularly in large-scale fabrication. Here we combine density functional theory and the non-equilibrium Green's function method to simulate the structural, electronic and transport properties of different defects in graphene and silicene. We show that defects are much more easily formed in silicene, compared to graphene. We also show that, although qualitatively similar, the effects of different defects occur closer to the Dirac point in silicene, and identifying them using scanning tunneling microscopy is more difficult particularly due to buckling. This could be overcome by performing direct source/drain measurements. Finally we show that the presence of defects leads to an increase in local current from which it follows that they not only contribute to scattering, but are also a source of heating.
机译：如石墨烯和硅等新型二维材料已经预示着未来纳米电子学中可能革命。高司，而在硅烯的情况下，与当前电子设备的看似自然的集成可以使它们成为下一代设备的材料。然而，这些系统中的缺陷特别是在大规模制造中的不可避免。在这里，我们结合了密度泛函理论和非平衡绿色的功能方法，以模拟石墨烯和硅中不同缺陷的结构，电子和运输性能。与石墨烯相比，我们表明缺陷更容易形成在硅片中。我们还表明，尽管定性相似，但不同缺陷的效果发生在硅中的狄拉科峰，并且使用扫描隧道显微镜识别它们更难以屈服于屈曲。可以通过执行直接源/漏极测量来克服这一点。最后，我们表明存在缺陷的存在导致局部电流的增加，因此它们不仅有助于散射，而且还有加热来源。

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  • 来源
    《RSC Advances》 |2016年第8期|共7页
  • 作者

    Haldar Soumyajyoti; Amorim Rodrigo G.; Sanyal Biplab; Scheicher Ralph H.; Rocha Alexandre R.;

  • 作者单位

    Uppsala Univ Dept Phys &

    Astron Div Mat Theory Box 516 SE-75120 Uppsala Sweden;

    Uppsala Univ Dept Phys &

    Astron Div Mat Theory Box 516 SE-75120 Uppsala Sweden;

    Uppsala Univ Dept Phys &

    Astron Div Mat Theory Box 516 SE-75120 Uppsala Sweden;

    Uppsala Univ Dept Phys &

    Astron Div Mat Theory Box 516 SE-75120 Uppsala Sweden;

    Univ Estadual Paulista Julio de Mesquita Filho UN Inst Fis Teor Sao Paulo Brazil;

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  • 正文语种 eng
  • 中图分类 化学;
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