Nigam Sandeep, Gupta Sanjeev K, Majumder C, Pandey Ravindra
Department of Physics, Michigan Technological University, Houghton, Michigan 49931, USA.
Phys Chem Chem Phys. 2015 May 7;17(17):11324-8. doi: 10.1039/c4cp05462h.
Electronic properties of the hetero-structures consisting of silicene, graphene and BN monolayers under the influence of an electric field were investigated using density functional theory. With no electric field, both silicene/graphene and silicene/BN were shown to have a finite gap of about ∼50 meV, though silicene is a zero-gap two-dimensional material. Application of the field perpendicular to the bilayer system was found to facilitate modulation of the band gap, exhibiting an approximately linear relationship with the gap energy, in contrast to what was seen for the constituent monolayers. Also, the degree of the modulation was mainly determined by the Si-pz electronic states at the interface of the silicene/graphene and silicene/BN bilayers.
利用密度泛函理论研究了在电场影响下由硅烯、石墨烯和氮化硼单层组成的异质结构的电子性质。在没有电场的情况下，尽管硅烯是一种零带隙二维材料，但硅烯/石墨烯和硅烯/氮化硼均显示出约50毫电子伏特的有限带隙。发现垂直于双层系统施加电场有助于调节带隙，与组成单层的情况相比，带隙能量呈现出近似线性关系。此外，调制程度主要由硅烯/石墨烯和硅烯/氮化硼双层界面处的Si-pz电子态决定。
