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首页> 外文期刊>Japanese journal of applied physics >Stacking sequence dependence of electronic properties in double-layer graphene heterostructures
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Stacking sequence dependence of electronic properties in double-layer graphene heterostructures

机译：双层石墨烯异质结构中电子性质的堆叠序列依赖性

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摘要

First-principles calculation has been performed to investigate the stability and electronic properties of double-layer graphene heterostructure (DLGH). In this system, two graphene layers are separated by hexagonal boron-nitride (h-BN) layers that work as an insulating barrier. Our results show that the stability of the system is determined by the atomistic configurations between graphene and its adjacent h-BN layer. Among different stacking sequences, Ab-stacking is most stable. Since the inserted h-BN layers modulate the on-site energies for carbon atoms of graphene layers, the electronic states of the system can be classified into metallic or semiconducting on the basis of the stacking sequence. Moreover, the stacking sequence dependence of the energy band structures of DLGHs is well described using the orbital interaction model.
机译：已经进行了第一性原理计算，以研究双层石墨烯异质结构（DLGH）的稳定性和电子性能。在该系统中，两个石墨烯层被用作绝缘势垒的六方氮化硼（h-BN）层隔开。我们的结果表明，系统的稳定性取决于石墨烯与其相邻的h-BN层之间的原子构型。在不同的堆叠顺序中，Ab堆叠最稳定。由于插入的h-BN层可调节石墨烯层碳原子的现场能量，因此可以根据堆叠顺序将系统的电子状态分为金属或半导体。此外，使用轨道相互作用模型很好地描述了DLGH的能带结构的堆叠序列依赖性。

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  • 来源
    《Japanese journal of applied physics》 |2014年第6s期|06JD03.1-06JD03.4|共4页
  • 作者

    Mei-Yan Ni; Katsunori Wakabayashi;

  • 作者单位

    School of Electronic Science and Applied Physics, Hefei University of Technology, Hefei 230009, P. R. China,International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science (NIMS), Tsukuba, Ibaraki 305-0044, Japan;

    International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science (NIMS), Tsukuba, Ibaraki 305-0044, Japan;

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