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Band Gap Calculations of Bilayer Graphene and Bilayer Armchair Graphene Nanoribbon

机译:双层石墨烯和双层扶手椅石墨烯纳米带隙计算

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Graphene has a high potential for use in electronic devices because it has a unique characteristic,electrons in massless grasses and has a speed close to the speed of light.Graphene conductivity at temperature space is 40 000 cm~2V~(-1)s~(-1)in the air.In addition,thermal conductivity can reach 2 800 Wm~(-1)K~(-1).The mechanical properties of graphene are very strong and flexible,and optical properties it has a white light transmittance of 95%.Therefore,graphene is suitable for transparent screen and the flexible electrode.The energy band gap of monolayer graphene can be changed by reducing the size,as for the band gap of bilayer graphene was affected by symmetry between two layers.So,it is interesting to research the band gap characteristics of bilayer armchair graphene nanoribbon(AGNR).In this paper,we have calculated the band gap of bilayer graphene and bilayer AGNR in various parameters such as band width and symmetry between two layers.The method used is tight binding method by only taking into account its nearest neighbors only.The results obtained from this simulation show that the band gap will be more open if asymmetry of the structure bilayer graphene is increasing and the band gap of AGNR will be more open if ribbon width decreased,is not affected by asymmetry.
机译:石墨烯具有高潜力,供电子设备使用,因为它具有独特的特性,无大量的草中的电子,并且具有接近光速的速度。温度空间的图形导电性为40 000cm〜2V〜(-1)〜 (-1)在空气中。此外,导热率可达2 800Wm〜(-1)k〜(-1)。石墨烯的机械性能非常强,光学性能具有白色透光率95%。因此,石墨烯适用于透明屏幕和柔性电极。单层石墨烯的能带隙可以通过减小尺寸来改变,因为双层石墨烯的带隙受两层之间的对称性影响。所以,研究双层扶手椅石墨烯纳米(AGNR)的带隙特性是有趣的。本文,我们已经计算了双层石墨烯和双层AGNR在各种参数中的带隙,例如两个层之间的带宽和对称性。使用的方法是紧密的绑定方法仅考虑到其最近的邻居。从该模拟中获得的结果表明,如果结构双层石墨烯的不对称性增加,则带隙将更加开放,并且如果色带宽度降低,则AGNR的带隙将更开放,则不是受不对称影响。

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