Department of Physics, Michigan Technological University, Houghton, Michigan 49931, USA.
Phys Chem Chem Phys. 2018 Jul 4;20(26):17983-17989. doi: 10.1039/c8cp01483c.
The applicability of graphene in nanoscale devices is somewhat limited because of the absence of a finite band gap. To overcome this limitation of zero band gap, we consider vertically-stacked heterostructures consisting of graphene and SnO knowing that two-dimensional SnO films were synthesized recently. Calculations based on density functional theory find that the oxide monolayer can induce a notable band gap in graphene; 115 meV in SnO/graphene/SnO heterostructures. Additionally, the band gap of graphene can be maintained under a relatively high electric field (≈109 V m-1) applied to the heterostructures because of the electrostatic screening effect of the oxide layer. The calculated results suggest the relative superiority of the graphene/oxide heterostructures over graphene/BN heterostructures for the nanoscale devices based on graphene.
由于缺乏有限的带隙,石墨烯在纳米尺度器件中的应用受到一定的限制。为了克服零带隙的这个限制,我们考虑了由石墨烯和 SnO 组成的垂直堆叠异质结构,因为二维 SnO 薄膜最近已经被合成。基于密度泛函理论的计算发现,氧化物单层可以在石墨烯中诱导出显著的带隙;在 SnO/石墨烯/SnO 异质结构中为 115 meV。此外,由于氧化物层的静电屏蔽效应,在施加到异质结构上的相对较高的电场(≈109 V m-1)下,石墨烯的带隙可以保持。计算结果表明,对于基于石墨烯的纳米尺度器件,石墨烯/氧化物异质结构相对于石墨烯/BN 异质结构具有相对优势。