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Structural stability and electronic properties of graphene/germanene heterobilayer
Results in Physics ( IF 4.4 ) Pub Date : 2021-07-15 , DOI: 10.1016/j.rinp.2021.104545
Mohamad Amin Bin Hamid 1, 2 , Kar Tim Chan 1, 2 , Chong Heng Raymond Ooi 3 , Hishamuddin Zainuddin 1, 2 , Nurisya Mohd Shah 1, 2 , Nazirul Nazrin Shahrol Nidzam 4
Affiliation  

In this work, the structural and electronic properties of graphene/germanene heterobilayer is investigated by using density functional theory. We find that the graphene and germanene are bounded together mainly by weak van der Waal forces. This is supported by small interlayer binding energy of graphene/germanene heterobilayer. In the heterobilayer, the Dirac cone characteristics of both graphene and germanene layers are well preserved. The band gap opening is found due to the unsaturated pz-orbital of germanene layer. Further variation of compressive strain along the normal of the heterobilayer increases the band gap opening in the heterobilayer. Inhomogeneous charge redistribution is found in between graphene and germanene layer, where small charge accumulation region is found in germanene layer while charge depletion region in graphene layer. The total charge accumulations in between graphene and germanene sheets is 5.645 × 10−4 e.



中文翻译:

石墨烯/锗烯异质双层的结构稳定性和电子特性

在这项工作中,利用密度泛函理论研究了石墨烯/锗烯异质双层的结构和电子特性。我们发现石墨烯和锗烯主要通过弱范德华力结合在一起。这是由石墨烯/锗烯异质双层的小层间结合能支持的。在异质双层中,石墨烯和锗烯层的狄拉克锥特征都得到了很好的保留。由于不饱和 p z发现带隙开口-锗烯层的轨道。压应变沿异质双层法线的进一步变化增加了异质双层中的带隙开口。在石墨烯和锗烯层之间发现了不均匀的电荷重新分布,其中在锗烯层中发现了小的电荷积累区,而在石墨烯层中发现了电荷耗尽区。石墨烯和锗烯片之间的总电荷积累为 5.645 × 10 -4 电子.

更新日期:2021-07-24
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