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Effect of Hexagonal Boron Nitride on Energy Band Gap of Graphene Antidot Structures

机译:六方氮化硼对石墨烯解毒剂结构能带隙的影响

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The zero band gap (Eg) graphene becomes narrow Eg semiconductor when graphene is patterned with periodic array of hexagonal shaped antidots, the resultant is the hexagonal Graphene Antidot Lattice (hGAL). Based on the number of atomic chains between antidots, hGALs can be even and odd. The even hGALs (ehGAL) are narrow Eg semiconductors and odd hGALs (ohGAL) are semi-metals. The Eg opening up by hGALs is not sufficient to operate a realistic switching transistor. Also hGAL transistors realized on Si/SiO2 substrate are suffering with low carrier mobility and ON-OFF current ratio. In order to achieve a sizable Eg with good mobility, AB Bernal stacked hGALs on hexagonal Boron Nitride (hBN), ABA Bernal stacked hBN / hGAL / hBN sandwiched structures and AB misaligned hGAL /hBN structures are reported here for the first time. Using the first principles method the electronic structure calculations are performed. A sizable Eg of about 1.04 eV (940+100 meV ) is opened when smallest neck width medium radius ehGAL supported on hBN and about 1.1 eV (940 + 200 meV ) is opened when the same is sandwiched between hBN layers. A band gap on the order of 71 meV is opened for Bernal stacked ohGAL / hBN and nearly 142 meV opened for hBN / ohGAL /hBN structures for smallest radius and width of nine atomic chains between antidots. Unlike a misaligned graphene on hBN, the misaligned ohGAL/hBN structure shows increased Eg. This study could open up new ways of band gap engineering for graphene based nanostructures.
机译:当以六边形解毒剂的周期性阵列对石墨烯进行图案化时,零带隙(Eg)石墨烯变成窄的Eg半导体,结果是六边形石墨烯解毒剂晶格(hGAL)。根据解毒剂之间原子链的数量,hGAL可以是偶数和奇数。偶数hGAL(ehGAL)是狭窄的Eg半导体,奇数hGAL(ohGAL)是半金属。 hGAL打开的Eg不足以操作实际的开关晶体管。在Si / SiO2衬底上实现的hGAL晶体管也具有低载流子迁移率和开-关电流比的问题。为了获得具有良好迁移率的相当大的Eg,首次在此报道了六方氮化硼(hBN)上的AB Bernal堆叠hGAL,ABA nalal堆叠hBN / hGAL / hBN夹心结构和AB未对齐的hGAL / hBN结构。使用第一原理方法,执行电子结构计算。当支撑在hBN上的最小颈宽中等半径ehGAL时,打开大约1.04 eV(940 + 100 meV)的相当大的Eg,当将其夹在hBN层之间时,打开大约1.1 eV(940 + 200 meV)的相当大的Eg。对于伯纳尔堆叠的OHGAL / hBN,打开了约71 meV的带隙;对于hBN / ohGAL / hBN结构,打开了约142 meV的带隙,从而使解毒点之间的九个原子链的半径和宽度最小。与hBN上未对齐的石墨烯不同,ohGAL / hBN未对齐结构显示Eg增加。该研究可以为基于石墨烯的纳米结构开辟带隙工程新方法。

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