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首页> 外文期刊>Physical review >Effects of edge magnetism and external electric field on energy gaps in multilayer graphene nanoribbons
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Effects of edge magnetism and external electric field on energy gaps in multilayer graphene nanoribbons

机译：边缘磁场和外部电场对多层石墨烯纳米带能隙的影响

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摘要

Using first-principles density-functional theory, we study the electronic structure of multilayer graphene nanoribbons as a function of the ribbon width and the external electric field, applied perpendicular to the ribbon layers. We consider two types of edges (armchair and zigzag), each with two edge alignments (referred to as α and β alignments). We show that, as in monolayer and bilayer armchair nanoribbons, multilayer armchair nanoribbons exhibit three classes of energy gaps which decrease with increasing width. Nonmagnetic multilayer zigzag nanoribbons have band structures that are sensitive to the edge alignments and the number of layers, indicating different magnetic properties and resulting energy gaps. We find that energy gaps can be induced in ABC-stacked ribbons with a perpendicular external electric field while in other stacking sequences, the gaps decrease or remain closed as the external electric field increases.
机译：使用第一原理密度泛函理论，我们研究了垂直于带状层施加的多层石墨烯纳米带的电子结构与带宽度和外部电场的关系。我们考虑两种类型的边缘（扶手椅和锯齿形），每种边缘都有两种边缘对齐方式（称为α和β对齐方式）。我们表明，与单层和双层扶手椅纳米带一样，多层扶手椅纳米带表现出三类能隙，它们随着宽度的增加而减小。非磁性多层之字形纳米带具有对边缘排列和层数敏感的能带结构，表明具有不同的磁性和由此产生的能隙。我们发现，在垂直于外部电场的ABC堆叠带中可以感应到能隙，而在其他堆叠序列中，随着外部电场的增加，能隙减小或保持闭合。

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  • 来源
    《Physical review》 |2010年第11期|p.115426.1-115426.7|共7页
  • 作者

    Bhagawan Sahu; rnHongki Min; rnSanjay K. Banerjee;

  • 作者单位

    Microelectronics Research Center, The University of Texas at Austin, Austin, Texas 78758, USA;

    rnCenter for Nanoscale Science and Technology, National Institute of Standards and Technology, Gaithersburg, Maryland 20899-6202, USA Maryland NanoCenter, University of Maryland, College Park, Maryland 20742, USA;

    rnMicroelectronics Research Center, The University of Texas at Austin, Austin, Texas 78758, USA;

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  • 正文语种 eng
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  • 关键词

    density functional theory, local density approximation, gradient and other corrections;

    机译：密度泛函理论;局部密度近似;梯度和其他校正;

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